3-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide

C13H11ClFN3O2 — CID 71035241

IUPAC3-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide
SMILESNC(=O)C1CCCn2c1nc1c(F)c(Cl)ccc1c2=O
InChIInChI=1S/C13H11ClFN3O2/c14-8-4-3-6-10(9(8)15)17-12-7(11(16)19)2-1-5-18(12)13(6)20/h3-4,7H,1-2,5H2,(H2,16,19)
InChIKeyDMFNRGWAYBNJHF-UHFFFAOYSA-N
MW295.70 g/mol
LogP1.55
Rot. Bonds1

About 3-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide

3-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide (PubChem CID 71035241) has the molecular formula C13H11ClFN3O2 and a molecular weight of 295.70 g/mol. Its IUPAC name is 3-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide
PubChem CID71035241
Molecular FormulaC13H11ClFN3O2
Molecular Weight295.70 g/mol
Exact Mass295.05
IUPAC Name3-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide
SMILESNC(=O)C1CCCn2c1nc1c(F)c(Cl)ccc1c2=O
InChIInChI=1S/C13H11ClFN3O2/c14-8-4-3-6-10(9(8)15)17-12-7(11(16)19)2-1-5-18(12)13(6)20/h3-4,7H,1-2,5H2,(H2,16,19)
InChIKeyDMFNRGWAYBNJHF-UHFFFAOYSA-N
XLogP1.55
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-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

2-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide
CID 71035240
(6S)-6-bromo-3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 95757248
(1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 70308607
(4aR,13bS)-10,11-dichloro-4-(2-oxopropyl)-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one
CID 176751890
2-[(2-chloro-6-fluorophenyl)methyl]-8-(4-ethylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 146072201
(2S)-1-[1-(3-chloro-2-fluorophenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide
CID 97337027
1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 62890575
1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
CID 43123585
(3R)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 776133
6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid
CID 43196915
1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide
CID 142087798
1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 154829671

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of 3-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide (CID 71035241) is 3-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for 3-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for 3-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide is NC(=O)C1CCCn2c1nc1c(F)c(Cl)ccc1c2=O.
What is the InChIKey of 3-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide?
The InChIKey is DMFNRGWAYBNJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O2/c14-8-4-3-6-10(9(8)15)17-12-7(11(16)19)2-1-5-18(12)13(6)20/h3-4,7H,1-2,5H2,(H2,16,19).
What are the key properties of 3-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide?
3-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide has a molecular weight of 295.70 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 71035241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).