N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

C25H30N4O3 — CID 41000737

IUPACN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3
InChIInChI=1S/C25H30N4O3/c30-24(26-17-21(22-8-7-15-32-22)28-12-4-2-5-13-28)18-10-11-19-20(16-18)27-23-9-3-1-6-14-29(23)25(19)31/h7-8,10-11,15-16,21H,1-6,9,12-14,17H2,(H,26,30)/t21-/m1/s1
InChIKeyPHCPINRLCXUBKU-OAQYLSRUSA-N
MW434.54 g/mol
LogP3.67
Rot. Bonds5

About N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide (PubChem CID 41000737) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
PubChem CID41000737
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3
InChIInChI=1S/C25H30N4O3/c30-24(26-17-21(22-8-7-15-32-22)28-12-4-2-5-13-28)18-10-11-19-20(16-18)27-23-9-3-1-6-14-29(23)25(19)31/h7-8,10-11,15-16,21H,1-6,9,12-14,17H2,(H,26,30)/t21-/m1/s1
InChIKeyPHCPINRLCXUBKU-OAQYLSRUSA-N
XLogP3.67
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551018
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 55450404
N-(4-methyl-2-morpholin-4-ylpentyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 43050217
4-methyl-2-[[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbonyl)amino]methyl]pentanoic acid
CID 120528458
N-benzyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551039
3-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbonyl)amino]propanoic acid
CID 119351395
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 35338389
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 34656418
12-oxo-N-phenyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 4816890
3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 4858668
3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one
CID 38910261

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide (CID 41000737) is N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide is O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide?
The InChIKey is PHCPINRLCXUBKU-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H30N4O3/c30-24(26-17-21(22-8-7-15-32-22)28-12-4-2-5-13-28)18-10-11-19-20(16-18)27-23-9-3-1-6-14-29(23)25(19)31/h7-8,10-11,15-16,21H,1-6,9,12-14,17H2,(H,26,30)/t21-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide?
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 41000737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).