N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide

C32H41N5O2 — CID 142230208

IUPACN-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]c(C)c(CC(=O)NCC3CCC(CCCc4nc(N(C)C)c5ccccc5n4)CC3)c2c1
InChIInChI=1S/C32H41N5O2/c1-21-26(27-18-24(39-4)16-17-29(27)34-21)19-31(38)33-20-23-14-12-22(13-15-23)8-7-11-30-35-28-10-6-5-9-25(28)32(36-30)37(2)3/h5-6,9-10,16-18,22-23,34H,7-8,11-15,19-20H2,1-4H3,(H,33,38)
InChIKeyTUTAMWOULBCSIK-UHFFFAOYSA-N
MW527.71 g/mol
LogP5.98
Rot. Bonds10

About N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide

N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide (PubChem CID 142230208) has the molecular formula C32H41N5O2 and a molecular weight of 527.71 g/mol. Its IUPAC name is N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
PubChem CID142230208
Molecular FormulaC32H41N5O2
Molecular Weight527.71 g/mol
Exact Mass527.33
IUPAC NameN-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]c(C)c(CC(=O)NCC3CCC(CCCc4nc(N(C)C)c5ccccc5n4)CC3)c2c1
InChIInChI=1S/C32H41N5O2/c1-21-26(27-18-24(39-4)16-17-29(27)34-21)19-31(38)33-20-23-14-12-22(13-15-23)8-7-11-30-35-28-10-6-5-9-25(28)32(36-30)37(2)3/h5-6,9-10,16-18,22-23,34H,7-8,11-15,19-20H2,1-4H3,(H,33,38)
InChIKeyTUTAMWOULBCSIK-UHFFFAOYSA-N
XLogP5.98
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]propanamide
CID 142229339
1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide
CID 142229142
N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 142228277
N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 142231140
N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine
CID 142229578
N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212129
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 68847499
ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine
CID 142229131
(2S)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-8-oxo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylmethyl)nonanamide
CID 69321542
2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine
CID 142230922
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]nonanamide
CID 142230266

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide (CID 142230208) is N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide is COc1ccc2[nH]c(C)c(CC(=O)NCC3CCC(CCCc4nc(N(C)C)c5ccccc5n4)CC3)c2c1.
What is the InChIKey of N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is TUTAMWOULBCSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O2/c1-21-26(27-18-24(39-4)16-17-29(27)34-21)19-31(38)33-20-23-14-12-22(13-15-23)8-7-11-30-35-28-10-6-5-9-25(28)32(36-30)37(2)3/h5-6,9-10,16-18,22-23,34H,7-8,11-15,19-20H2,1-4H3,(H,33,38).
What are the key properties of N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide?
N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 527.71 g/mol, XLogP of 5.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 142230208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).