7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one

C23H23F2N5O2 — CID 167390374

IUPAC7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(N3CCCc4cc(C(=O)N5CCC(F)(F)CC5)cnc43)ccc2c1=O
InChIInChI=1S/C23H23F2N5O2/c1-28-14-27-19-12-17(4-5-18(19)22(28)32)30-8-2-3-15-11-16(13-26-20(15)30)21(31)29-9-6-23(24,25)7-10-29/h4-5,11-14H,2-3,6-10H2,1H3
InChIKeyYUMXTQVHXIHZEI-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.28
Rot. Bonds2

About 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one

7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one (PubChem CID 167390374) has the molecular formula C23H23F2N5O2 and a molecular weight of 439.47 g/mol. Its IUPAC name is 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one
PubChem CID167390374
Molecular FormulaC23H23F2N5O2
Molecular Weight439.47 g/mol
Exact Mass439.18
IUPAC Name7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(N3CCCc4cc(C(=O)N5CCC(F)(F)CC5)cnc43)ccc2c1=O
InChIInChI=1S/C23H23F2N5O2/c1-28-14-27-19-12-17(4-5-18(19)22(28)32)30-8-2-3-15-11-16(13-26-20(15)30)21(31)29-9-6-23(24,25)7-10-29/h4-5,11-14H,2-3,6-10H2,1H3
InChIKeyYUMXTQVHXIHZEI-UHFFFAOYSA-N
XLogP3.28
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one 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

7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 154994533
5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one
CID 154995043
7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 167390386
3-methyl-7-[2-(piperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]quinazolin-4-one
CID 154994483
4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid
CID 154994854
2-ethyl-5-[6-[4-fluoro-3-methyl-4-[(E)-prop-1-enyl]piperidine-1-carbonyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one
CID 166887164
[8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 154994822
3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one
CID 135104063
7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 154667377
(5S)-9-(3-methyl-4-oxoquinazoline-7-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724265
6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one
CID 166886954
6-methyl-3-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 167390377

Frequently Asked Questions

What is the IUPAC name of 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one?
The IUPAC name of 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one (CID 167390374) is 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one is Cn1cnc2cc(N3CCCc4cc(C(=O)N5CCC(F)(F)CC5)cnc43)ccc2c1=O.
What is the InChIKey of 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one?
The InChIKey is YUMXTQVHXIHZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O2/c1-28-14-27-19-12-17(4-5-18(19)22(28)32)30-8-2-3-15-11-16(13-26-20(15)30)21(31)29-9-6-23(24,25)7-10-29/h4-5,11-14H,2-3,6-10H2,1H3.
What are the key properties of 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one?
7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one has a molecular weight of 439.47 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 167390374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).