N-[[2-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]spiro[2.5]octan-6-yl]methyl]-5-thiophen-2-ylpentanamide

C30H40N4OS — CID 142229217

IUPACN-[[2-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]spiro[2.5]octan-6-yl]methyl]-5-thiophen-2-ylpentanamide
SMILESCN(C)c1nc(CCC2CC23CCC(CNC(=O)CCCCc2cccs2)CC3)nc2ccccc12
InChIInChI=1S/C30H40N4OS/c1-34(2)29-25-10-4-5-11-26(25)32-27(33-29)14-13-23-20-30(23)17-15-22(16-18-30)21-31-28(35)12-6-3-8-24-9-7-19-36-24/h4-5,7,9-11,19,22-23H,3,6,8,12-18,20-21H2,1-2H3,(H,31,35)
InChIKeyIGVHTCCXPSHPBE-UHFFFAOYSA-N
MW504.74 g/mol
LogP6.42
Rot. Bonds11

About N-[[2-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]spiro[2.5]octan-6-yl]methyl]-5-thiophen-2-ylpentanamide

N-[[2-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]spiro[2.5]octan-6-yl]methyl]-5-thiophen-2-ylpentanamide (PubChem CID 142229217) has the molecular formula C30H40N4OS and a molecular weight of 504.74 g/mol. Its IUPAC name is N-[[2-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]spiro[2.5]octan-6-yl]methyl]-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[[2-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]spiro[2.5]octan-6-yl]methyl]-5-thiophen-2-ylpentanamide
PubChem CID142229217
Molecular FormulaC30H40N4OS
Molecular Weight504.74 g/mol
Exact Mass504.29
IUPAC NameN-[[2-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]spiro[2.5]octan-6-yl]methyl]-5-thiophen-2-ylpentanamide
SMILESCN(C)c1nc(CCC2CC23CCC(CNC(=O)CCCCc2cccs2)CC3)nc2ccccc12
InChIInChI=1S/C30H40N4OS/c1-34(2)29-25-10-4-5-11-26(25)32-27(33-29)14-13-23-20-30(23)17-15-22(16-18-30)21-31-28(35)12-6-3-8-24-9-7-19-36-24/h4-5,7,9-11,19,22-23H,3,6,8,12-18,20-21H2,1-2H3,(H,31,35)
InChIKeyIGVHTCCXPSHPBE-UHFFFAOYSA-N
XLogP6.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.74
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[2-[(2S)-6-[[(3,4,5-trichlorothiophen-2-yl)methylamino]methyl]spiro[2.5]octan-2-yl]ethyl]quinazolin-4-amine
CID 142231062
1-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-8-thiophen-2-yloctan-4-one
CID 142228549
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]propanamide
CID 142229339
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]nonanamide
CID 142230266
1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide
CID 142229142
N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine
CID 142230983
2-[3-[2-[3-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]spiro[2.5]octan-6-yl]propyl]-N,N-dimethylquinazolin-4-amine
CID 142231356
N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine
CID 142229578
N,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine
CID 142229280
N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 142230208
ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine
CID 142229131
N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]spiro[2.5]octan-6-yl]methyl]-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[[2-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]spiro[2.5]octan-6-yl]methyl]-5-thiophen-2-ylpentanamide (CID 142229217) is N-[[2-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]spiro[2.5]octan-6-yl]methyl]-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[[2-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]spiro[2.5]octan-6-yl]methyl]-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[[2-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]spiro[2.5]octan-6-yl]methyl]-5-thiophen-2-ylpentanamide is CN(C)c1nc(CCC2CC23CCC(CNC(=O)CCCCc2cccs2)CC3)nc2ccccc12.
What is the InChIKey of N-[[2-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]spiro[2.5]octan-6-yl]methyl]-5-thiophen-2-ylpentanamide?
The InChIKey is IGVHTCCXPSHPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4OS/c1-34(2)29-25-10-4-5-11-26(25)32-27(33-29)14-13-23-20-30(23)17-15-22(16-18-30)21-31-28(35)12-6-3-8-24-9-7-19-36-24/h4-5,7,9-11,19,22-23H,3,6,8,12-18,20-21H2,1-2H3,(H,31,35).
What are the key properties of N-[[2-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]spiro[2.5]octan-6-yl]methyl]-5-thiophen-2-ylpentanamide?
N-[[2-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]spiro[2.5]octan-6-yl]methyl]-5-thiophen-2-ylpentanamide has a molecular weight of 504.74 g/mol, XLogP of 6.42, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]spiro[2.5]octan-6-yl]methyl]-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 142229217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).