N-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide

C25H20ClFN4O2 — CID 60548953

IUPACN-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
SMILESO=C(Nc1cccc2c1CCCN2Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(F)cc1
InChIInChI=1S/C25H20ClFN4O2/c26-17-8-11-23-28-19(13-24(32)31(23)14-17)15-30-12-2-3-20-21(4-1-5-22(20)30)29-25(33)16-6-9-18(27)10-7-16/h1,4-11,13-14H,2-3,12,15H2,(H,29,33)
InChIKeyBXODGPHAVZVRDO-UHFFFAOYSA-N
MW462.91 g/mol
LogP4.69
Rot. Bonds4

About N-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide

N-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide (PubChem CID 60548953) has the molecular formula C25H20ClFN4O2 and a molecular weight of 462.91 g/mol. Its IUPAC name is N-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
PubChem CID60548953
Molecular FormulaC25H20ClFN4O2
Molecular Weight462.91 g/mol
Exact Mass462.13
IUPAC NameN-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
SMILESO=C(Nc1cccc2c1CCCN2Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(F)cc1
InChIInChI=1S/C25H20ClFN4O2/c26-17-8-11-23-28-19(13-24(32)31(23)14-17)15-30-12-2-3-20-21(4-1-5-22(20)30)29-25(33)16-6-9-18(27)10-7-16/h1,4-11,13-14H,2-3,12,15H2,(H,29,33)
InChIKeyBXODGPHAVZVRDO-UHFFFAOYSA-N
XLogP4.69
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.91
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide with MolForge

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Related Compounds

7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 18087338
4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548756
7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17456486
N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 52725585
4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548636
N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978757
N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 55978500
N-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 60548513
N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 38005181
7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55544325
4-fluoro-N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548479
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-fluorobenzoate
CID 18199866

Frequently Asked Questions

What is the IUPAC name of N-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide (CID 60548953) is N-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide is O=C(Nc1cccc2c1CCCN2Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The InChIKey is BXODGPHAVZVRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN4O2/c26-17-8-11-23-28-19(13-24(32)31(23)14-17)15-30-12-2-3-20-21(4-1-5-22(20)30)29-25(33)16-6-9-18(27)10-7-16/h1,4-11,13-14H,2-3,12,15H2,(H,29,33).
What are the key properties of N-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
N-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide has a molecular weight of 462.91 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 60548953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).