8-chloro-2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one

C22H21ClFN3O — CID 135515514

IUPAC8-chloro-2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCCN2CC=C(c3ccc(F)cc3)CC2)nc2c(Cl)cccc12
InChIInChI=1S/C22H21ClFN3O/c23-19-4-1-3-18-21(19)25-20(26-22(18)28)5-2-12-27-13-10-16(11-14-27)15-6-8-17(24)9-7-15/h1,3-4,6-10H,2,5,11-14H2,(H,25,26,28)
InChIKeyACCULLWIBRVLMN-UHFFFAOYSA-N
MW397.88 g/mol
LogP4.44
Rot. Bonds5

About 8-chloro-2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one

8-chloro-2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one (PubChem CID 135515514) has the molecular formula C22H21ClFN3O and a molecular weight of 397.88 g/mol. Its IUPAC name is 8-chloro-2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-chloro-2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one
PubChem CID135515514
Molecular FormulaC22H21ClFN3O
Molecular Weight397.88 g/mol
Exact Mass397.14
IUPAC Name8-chloro-2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCCN2CC=C(c3ccc(F)cc3)CC2)nc2c(Cl)cccc12
InChIInChI=1S/C22H21ClFN3O/c23-19-4-1-3-18-21(19)25-20(26-22(18)28)5-2-12-27-13-10-16(11-14-27)15-6-8-17(24)9-7-15/h1,3-4,6-10H,2,5,11-14H2,(H,25,26,28)
InChIKeyACCULLWIBRVLMN-UHFFFAOYSA-N
XLogP4.44
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-chloro-2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

5-chloro-2-(3-(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)propyl)-4(3H)-quinazolinone
CID 135444661
2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone
CID 135460986
2-{3-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]propyl}-4(3H)-quinazolinone
CID 135440318
FR-255595
CID 135532443
8-Chloro-2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)propyl]-3,4-dihydroquinazolin-4-one
CID 135537658
4-{1-[3-(8-Chloro-4-oxo-3,4-dihydroquinazolin-2-yl)propyl]-1,2,3,6-tetrahydropyridin-4-yl}benzonitrile
CID 135875706
2-[2-(2-chlorophenyl)vinyl]-3-ethyl-4(3H)-quinazolinone
CID 6247184
2-[(E)-2-(2-chlorophenyl)ethenyl]-1H-quinazolin-4-one
CID 135580315
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-fluorobenzamide
CID 71508543
6-Amino-3-[(2-chlorophenyl)methyl]-2-propyl-4-quinazolinone
CID 1173996
3-(2-chlorophenyl)-6-fluoro-2-[(E)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one
CID 9843607
3-(2-Chlorophenyl)-6-fluoro-2-[(2-fluoroanilino)methyl]quinazolin-4-one
CID 9908809

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one?
The IUPAC name of 8-chloro-2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one (CID 135515514) is 8-chloro-2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one.
What is the SMILES notation for 8-chloro-2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one?
The canonical SMILES for 8-chloro-2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one is O=c1[nH]c(CCCN2CC=C(c3ccc(F)cc3)CC2)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one?
The InChIKey is ACCULLWIBRVLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O/c23-19-4-1-3-18-21(19)25-20(26-22(18)28)5-2-12-27-13-10-16(11-14-27)15-6-8-17(24)9-7-15/h1,3-4,6-10H,2,5,11-14H2,(H,25,26,28).
What are the key properties of 8-chloro-2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one?
8-chloro-2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one has a molecular weight of 397.88 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135515514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).