2,3-dimethyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide

C21H24N4O2 — CID 162763902

IUPAC2,3-dimethyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide
SMILESCc1cc2nc3c(C(=O)NCCN4CCCC4)cccn3c(=O)c2cc1C
InChIInChI=1S/C21H24N4O2/c1-14-12-17-18(13-15(14)2)23-19-16(6-5-10-25(19)21(17)27)20(26)22-7-11-24-8-3-4-9-24/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,22,26)
InChIKeyNVVRVKNYPDQRPX-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.29
Rot. Bonds4

About 2,3-dimethyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide

2,3-dimethyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide (PubChem CID 162763902) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2,3-dimethyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide
PubChem CID162763902
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2,3-dimethyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide
SMILESCc1cc2nc3c(C(=O)NCCN4CCCC4)cccn3c(=O)c2cc1C
InChIInChI=1S/C21H24N4O2/c1-14-12-17-18(13-15(14)2)23-19-16(6-5-10-25(19)21(17)27)20(26)22-7-11-24-8-3-4-9-24/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,22,26)
InChIKeyNVVRVKNYPDQRPX-UHFFFAOYSA-N
XLogP2.29
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2,3-dimethyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-Amino-4',4''-bis(5-methyl-2-imidazolin-2-yl)terephthalanilide
CID 24650
Bmh-21
CID 3508054
N-(2-morpholin-4-ylethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
CID 3508059
N-(6-aminohexyl)-2-[4-oxo-6-phenyl-2-(2-phenylethyl)quinazolin-3-yl]acetamide;hydrochloride
CID 45265560
2-(6-(3-(azetidin-1-ylmethyl)phenyl)-4-oxo-2-phenylquinazolin-3(4H)-yl)-N-cyclopentylacetamide
CID 54583808
N-[4-(dimethylamino)butyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
CID 90644345
N-[3-(dimethylamino)propyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
CID 90644346
N-(azetidin-3-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
CID 90644349
N-(1-methylpiperidin-4-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
CID 90644350
12-oxo-N-(2-piperidin-1-ylethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
CID 90644356
12-oxo-N-(2-pyrrolidin-1-ylethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
CID 90644357
N-[2-(diethylamino)ethyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
CID 90644358

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide (CID 162763902) is 2,3-dimethyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide is Cc1cc2nc3c(C(=O)NCCN4CCCC4)cccn3c(=O)c2cc1C.
What is the InChIKey of 2,3-dimethyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide?
The InChIKey is NVVRVKNYPDQRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-12-17-18(13-15(14)2)23-19-16(6-5-10-25(19)21(17)27)20(26)22-7-11-24-8-3-4-9-24/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,22,26).
What are the key properties of 2,3-dimethyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide?
2,3-dimethyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 162763902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).