N-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide

C105H125N11O7 — CID 162155090

IUPACN-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCC(=O)N(C)c1ccc2c(c1)CCN2Cc1ccc(C(C)C)cc1.CC(=O)N(C)c1ccc2c(ccn2Cc2ccc(C(C)C)cc2)c1.CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C2CCCO2)cc1.CNC(=O)Nc1ccc2c(ccn2Cc2ccc(C(C)C)cc2)c1.COC(C)c1ccc(CN2CCCc3cc(NC(C)=O)ccc32)cc1
InChIInChI=1S/C22H26N2O2.C21H26N2O2.C21H26N2O.C21H24N2O.C20H23N3O/c1-16(25)23-20-10-11-21-19(14-20)4-2-12-24(21)15-17-6-8-18(9-7-17)22-5-3-13-26-22;1-15(25-3)18-8-6-17(7-9-18)14-23-12-4-5-19-13-20(22-16(2)24)10-11-21(19)23;2*1-15(2)18-7-5-17(6-8-18)14-23-12-11-19-13-20(9-10-21(19)23)22(4)16(3)24;1-14(2)16-6-4-15(5-7-16)13-23-11-10-17-12-18(8-9-19(17)23)22-20(24)21-3/h6-11,14,22H,2-5,12-13,15H2,1H3,(H,23,25);6-11,13,15H,4-5,12,14H2,1-3H3,(H,22,24);5-10,13,15H,11-12,14H2,1-4H3;5-13,15H,14H2,1-4H3;4-12,14H,13H2,1-3H3,(H2,21,22,24)
InChIKeyZLSFRPVWAGHEFP-UHFFFAOYSA-N
MW1653.22 g/mol
LogP22.47
Rot. Bonds21

About N-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide

N-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide (PubChem CID 162155090) has the molecular formula C105H125N11O7 and a molecular weight of 1653.22 g/mol. Its IUPAC name is N-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
PubChem CID162155090
Molecular FormulaC105H125N11O7
Molecular Weight1653.22 g/mol
Exact Mass1651.98
IUPAC NameN-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCC(=O)N(C)c1ccc2c(c1)CCN2Cc1ccc(C(C)C)cc1.CC(=O)N(C)c1ccc2c(ccn2Cc2ccc(C(C)C)cc2)c1.CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C2CCCO2)cc1.CNC(=O)Nc1ccc2c(ccn2Cc2ccc(C(C)C)cc2)c1.COC(C)c1ccc(CN2CCCc3cc(NC(C)=O)ccc32)cc1
InChIInChI=1S/C22H26N2O2.C21H26N2O2.C21H26N2O.C21H24N2O.C20H23N3O/c1-16(25)23-20-10-11-21-19(14-20)4-2-12-24(21)15-17-6-8-18(9-7-17)22-5-3-13-26-22;1-15(25-3)18-8-6-17(7-9-18)14-23-12-4-5-19-13-20(22-16(2)24)10-11-21(19)23;2*1-15(2)18-7-5-17(6-8-18)14-23-12-11-19-13-20(9-10-21(19)23)22(4)16(3)24;1-14(2)16-6-4-15(5-7-16)13-23-11-10-17-12-18(8-9-19(17)23)22-20(24)21-3/h6-11,14,22H,2-5,12-13,15H2,1H3,(H,23,25);6-11,13,15H,4-5,12,14H2,1-3H3,(H,22,24);5-10,13,15H,11-12,14H2,1-4H3;5-13,15H,14H2,1-4H3;4-12,14H,13H2,1-3H3,(H2,21,22,24)
InChIKeyZLSFRPVWAGHEFP-UHFFFAOYSA-N
XLogP22.47
TPSA177.99 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms123
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001653.22
LogP ≤ 522.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The IUPAC name of N-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide (CID 162155090) is N-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide.
What is the SMILES notation for N-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The canonical SMILES for N-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide is CC(=O)N(C)c1ccc2c(c1)CCN2Cc1ccc(C(C)C)cc1.CC(=O)N(C)c1ccc2c(ccn2Cc2ccc(C(C)C)cc2)c1.CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C2CCCO2)cc1.CNC(=O)Nc1ccc2c(ccn2Cc2ccc(C(C)C)cc2)c1.COC(C)c1ccc(CN2CCCc3cc(NC(C)=O)ccc32)cc1.
What is the InChIKey of N-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The InChIKey is ZLSFRPVWAGHEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.C21H26N2O2.C21H26N2O.C21H24N2O.C20H23N3O/c1-16(25)23-20-10-11-21-19(14-20)4-2-12-24(21)15-17-6-8-18(9-7-17)22-5-3-13-26-22;1-15(25-3)18-8-6-17(7-9-18)14-23-12-4-5-19-13-20(22-16(2)24)10-11-21(19)23;2*1-15(2)18-7-5-17(6-8-18)14-23-12-11-19-13-20(9-10-21(19)23)22(4)16(3)24;1-14(2)16-6-4-15(5-7-16)13-23-11-10-17-12-18(8-9-19(17)23)22-20(24)21-3/h6-11,14,22H,2-5,12-13,15H2,1H3,(H,23,25);6-11,13,15H,4-5,12,14H2,1-3H3,(H,22,24);5-10,13,15H,11-12,14H2,1-4H3;5-13,15H,14H2,1-4H3;4-12,14H,13H2,1-3H3,(H2,21,22,24).
What are the key properties of N-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
N-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide has a molecular weight of 1653.22 g/mol, XLogP of 22.47, 21 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide is sourced from PubChem (CID 162155090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).