N-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide

C20H25N3O2 — CID 22550936

IUPACN-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc2c(=O)n3c(nc2c1)CCCC3
InChIInChI=1S/C20H25N3O2/c24-19(21-15-7-3-1-2-4-8-15)14-10-11-16-17(13-14)22-18-9-5-6-12-23(18)20(16)25/h10-11,13,15H,1-9,12H2,(H,21,24)
InChIKeyMVPPMLYALMHUSP-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.19
Rot. Bonds2

About N-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide

N-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide (PubChem CID 22550936) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
PubChem CID22550936
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc2c(=O)n3c(nc2c1)CCCC3
InChIInChI=1S/C20H25N3O2/c24-19(21-15-7-3-1-2-4-8-15)14-10-11-16-17(13-14)22-18-9-5-6-12-23(18)20(16)25/h10-11,13,15H,1-9,12H2,(H,21,24)
InChIKeyMVPPMLYALMHUSP-UHFFFAOYSA-N
XLogP3.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-methylcyclohexyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 7598648
9-oxo-N-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 17456065
[2-(cyclohexylamino)-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
CID 2644758
[2-(cyclopentylamino)-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
CID 2644754
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 33344564
N'-(cyclopentanecarbonyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide
CID 8873292
N-[1-(13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46443351
N-(3-cyclohexyloxypropyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 24516405
[2-(cyclopropylamino)-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
CID 2644751
3-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbonyl)amino]propanoic acid
CID 119351395
3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide
CID 92574896
cyclohexyl 13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate
CID 35531647

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide?
The IUPAC name of N-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide (CID 22550936) is N-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide?
The canonical SMILES for N-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide is O=C(NC1CCCCCC1)c1ccc2c(=O)n3c(nc2c1)CCCC3.
What is the InChIKey of N-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide?
The InChIKey is MVPPMLYALMHUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-19(21-15-7-3-1-2-4-8-15)14-10-11-16-17(13-14)22-18-9-5-6-12-23(18)20(16)25/h10-11,13,15H,1-9,12H2,(H,21,24).
What are the key properties of N-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide?
N-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 22550936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).