2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide

C27H23FN6O2 — CID 122431467

IUPAC2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide
SMILESCOc1cc(-c2nc(-c3ccc(F)cc3)nc3cc(C(=O)NCCCc4ncc[nH]4)ccc23)ccn1
InChIInChI=1S/C27H23FN6O2/c1-36-24-16-18(10-12-31-24)25-21-9-6-19(27(35)32-11-2-3-23-29-13-14-30-23)15-22(21)33-26(34-25)17-4-7-20(28)8-5-17/h4-10,12-16H,2-3,11H2,1H3,(H,29,30)(H,32,35)
InChIKeyUBIYWUIHSOSQPW-UHFFFAOYSA-N
MW482.52 g/mol
LogP4.59
Rot. Bonds8

About 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide

2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide (PubChem CID 122431467) has the molecular formula C27H23FN6O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide
PubChem CID122431467
Molecular FormulaC27H23FN6O2
Molecular Weight482.52 g/mol
Exact Mass482.19
IUPAC Name2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide
SMILESCOc1cc(-c2nc(-c3ccc(F)cc3)nc3cc(C(=O)NCCCc4ncc[nH]4)ccc23)ccn1
InChIInChI=1S/C27H23FN6O2/c1-36-24-16-18(10-12-31-24)25-21-9-6-19(27(35)32-11-2-3-23-29-13-14-30-23)15-22(21)33-26(34-25)17-4-7-20(28)8-5-17/h4-10,12-16H,2-3,11H2,1H3,(H,29,30)(H,32,35)
InChIKeyUBIYWUIHSOSQPW-UHFFFAOYSA-N
XLogP4.59
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide with MolForge

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Related Compounds

N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
TLX agonist 10
CID 162679531
(S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl)-7-oxooctyl)-1-methylazetidine-3-carboxamide
CID 11556677
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 90298273
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 149682244
(2S)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-propan-2-yl-6-azaspiro[2.5]octane-2-carboxamide
CID 153032286
(2S)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 153582290
(2S)-6-ethyl-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 156011362
(3S)-7-ethyl-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-oxononyl]-7-azaspiro[3.5]nonane-3-carboxamide
CID 156011619
(2S)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 156013262
4-amino-N-(6-methoxypyridin-3-yl)-2,6-dimethylquinazoline-8-carboxamide
CID 51003485
[4-[4-(4-Fluoro-3-methoxyanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone
CID 164617145

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide (CID 122431467) is 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide is COc1cc(-c2nc(-c3ccc(F)cc3)nc3cc(C(=O)NCCCc4ncc[nH]4)ccc23)ccn1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide?
The InChIKey is UBIYWUIHSOSQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O2/c1-36-24-16-18(10-12-31-24)25-21-9-6-19(27(35)32-11-2-3-23-29-13-14-30-23)15-22(21)33-26(34-25)17-4-7-20(28)8-5-17/h4-10,12-16H,2-3,11H2,1H3,(H,29,30)(H,32,35).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide?
2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide is sourced from PubChem (CID 122431467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).