2-[4-[1-(1-acetylpiperidin-4-yl)imidazol-2-yl]phenyl]-3-(5-chloro-2-pyridinyl)quinazolin-4-one

C29H25ClN6O2 — CID 10075518

IUPAC2-[4-[1-(1-acetylpiperidin-4-yl)imidazol-2-yl]phenyl]-3-(5-chloro-2-pyridinyl)quinazolin-4-one
SMILESCC(=O)N1CCC(n2ccnc2-c2ccc(-c3nc4ccccc4c(=O)n3-c3ccc(Cl)cn3)cc2)CC1
InChIInChI=1S/C29H25ClN6O2/c1-19(37)34-15-12-23(13-16-34)35-17-14-31-27(35)20-6-8-21(9-7-20)28-33-25-5-3-2-4-24(25)29(38)36(28)26-11-10-22(30)18-32-26/h2-11,14,17-18,23H,12-13,15-16H2,1H3
InChIKeyRGHKDLAQWIPGCH-UHFFFAOYSA-N
MW525.01 g/mol
LogP5.15
Rot. Bonds4

About 2-[4-[1-(1-acetylpiperidin-4-yl)imidazol-2-yl]phenyl]-3-(5-chloro-2-pyridinyl)quinazolin-4-one

2-[4-[1-(1-acetylpiperidin-4-yl)imidazol-2-yl]phenyl]-3-(5-chloro-2-pyridinyl)quinazolin-4-one (PubChem CID 10075518) has the molecular formula C29H25ClN6O2 and a molecular weight of 525.01 g/mol. Its IUPAC name is 2-[4-[1-(1-acetylpiperidin-4-yl)imidazol-2-yl]phenyl]-3-(5-chloro-2-pyridinyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[4-[1-(1-acetylpiperidin-4-yl)imidazol-2-yl]phenyl]-3-(5-chloro-2-pyridinyl)quinazolin-4-one
PubChem CID10075518
Molecular FormulaC29H25ClN6O2
Molecular Weight525.01 g/mol
Exact Mass524.17
IUPAC Name2-[4-[1-(1-acetylpiperidin-4-yl)imidazol-2-yl]phenyl]-3-(5-chloro-2-pyridinyl)quinazolin-4-one
SMILESCC(=O)N1CCC(n2ccnc2-c2ccc(-c3nc4ccccc4c(=O)n3-c3ccc(Cl)cn3)cc2)CC1
InChIInChI=1S/C29H25ClN6O2/c1-19(37)34-15-12-23(13-16-34)35-17-14-31-27(35)20-6-8-21(9-7-20)28-33-25-5-3-2-4-24(25)29(38)36(28)26-11-10-22(30)18-32-26/h2-11,14,17-18,23H,12-13,15-16H2,1H3
InChIKeyRGHKDLAQWIPGCH-UHFFFAOYSA-N
XLogP5.15
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.01
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1-acetylpiperidin-4-yl)imidazol-2-yl]phenyl]-3-(5-chloro-2-pyridinyl)quinazolin-4-one?
The IUPAC name of 2-[4-[1-(1-acetylpiperidin-4-yl)imidazol-2-yl]phenyl]-3-(5-chloro-2-pyridinyl)quinazolin-4-one (CID 10075518) is 2-[4-[1-(1-acetylpiperidin-4-yl)imidazol-2-yl]phenyl]-3-(5-chloro-2-pyridinyl)quinazolin-4-one.
What is the SMILES notation for 2-[4-[1-(1-acetylpiperidin-4-yl)imidazol-2-yl]phenyl]-3-(5-chloro-2-pyridinyl)quinazolin-4-one?
The canonical SMILES for 2-[4-[1-(1-acetylpiperidin-4-yl)imidazol-2-yl]phenyl]-3-(5-chloro-2-pyridinyl)quinazolin-4-one is CC(=O)N1CCC(n2ccnc2-c2ccc(-c3nc4ccccc4c(=O)n3-c3ccc(Cl)cn3)cc2)CC1.
What is the InChIKey of 2-[4-[1-(1-acetylpiperidin-4-yl)imidazol-2-yl]phenyl]-3-(5-chloro-2-pyridinyl)quinazolin-4-one?
The InChIKey is RGHKDLAQWIPGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN6O2/c1-19(37)34-15-12-23(13-16-34)35-17-14-31-27(35)20-6-8-21(9-7-20)28-33-25-5-3-2-4-24(25)29(38)36(28)26-11-10-22(30)18-32-26/h2-11,14,17-18,23H,12-13,15-16H2,1H3.
What are the key properties of 2-[4-[1-(1-acetylpiperidin-4-yl)imidazol-2-yl]phenyl]-3-(5-chloro-2-pyridinyl)quinazolin-4-one?
2-[4-[1-(1-acetylpiperidin-4-yl)imidazol-2-yl]phenyl]-3-(5-chloro-2-pyridinyl)quinazolin-4-one has a molecular weight of 525.01 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1-acetylpiperidin-4-yl)imidazol-2-yl]phenyl]-3-(5-chloro-2-pyridinyl)quinazolin-4-one is sourced from PubChem (CID 10075518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).