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

C27H23ClN6O — CID 10345187

IUPAC3-(5-chloro-2-pyridinyl)-2-[4-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]phenyl]quinazolin-4-one
SMILESCN1CCC(n2ccnc2-c2ccc(-c3nc4ccccc4c(=O)n3-c3ccc(Cl)cn3)cc2)C1
InChIInChI=1S/C27H23ClN6O/c1-32-14-12-21(17-32)33-15-13-29-25(33)18-6-8-19(9-7-18)26-31-23-5-3-2-4-22(23)27(35)34(26)24-11-10-20(28)16-30-24/h2-11,13,15-16,21H,12,14,17H2,1H3
InChIKeyALTZYQXLZLLHGP-UHFFFAOYSA-N
MW482.98 g/mol
LogP4.84
Rot. Bonds4

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

3-(5-chloro-2-pyridinyl)-2-[4-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]phenyl]quinazolin-4-one (PubChem CID 10345187) has the molecular formula C27H23ClN6O and a molecular weight of 482.98 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridinyl)-2-[4-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(5-chloro-2-pyridinyl)-2-[4-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]phenyl]quinazolin-4-one
PubChem CID10345187
Molecular FormulaC27H23ClN6O
Molecular Weight482.98 g/mol
Exact Mass482.16
IUPAC Name3-(5-chloro-2-pyridinyl)-2-[4-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]phenyl]quinazolin-4-one
SMILESCN1CCC(n2ccnc2-c2ccc(-c3nc4ccccc4c(=O)n3-c3ccc(Cl)cn3)cc2)C1
InChIInChI=1S/C27H23ClN6O/c1-32-14-12-21(17-32)33-15-13-29-25(33)18-6-8-19(9-7-18)26-31-23-5-3-2-4-22(23)27(35)34(26)24-11-10-20(28)16-30-24/h2-11,13,15-16,21H,12,14,17H2,1H3
InChIKeyALTZYQXLZLLHGP-UHFFFAOYSA-N
XLogP4.84
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.98
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyridinyl)-2-[4-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]phenyl]quinazolin-4-one?
The IUPAC name of 3-(5-chloro-2-pyridinyl)-2-[4-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]phenyl]quinazolin-4-one (CID 10345187) is 3-(5-chloro-2-pyridinyl)-2-[4-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]phenyl]quinazolin-4-one.
What is the SMILES notation for 3-(5-chloro-2-pyridinyl)-2-[4-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]phenyl]quinazolin-4-one?
The canonical SMILES for 3-(5-chloro-2-pyridinyl)-2-[4-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]phenyl]quinazolin-4-one is CN1CCC(n2ccnc2-c2ccc(-c3nc4ccccc4c(=O)n3-c3ccc(Cl)cn3)cc2)C1.
What is the InChIKey of 3-(5-chloro-2-pyridinyl)-2-[4-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]phenyl]quinazolin-4-one?
The InChIKey is ALTZYQXLZLLHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN6O/c1-32-14-12-21(17-32)33-15-13-29-25(33)18-6-8-19(9-7-18)26-31-23-5-3-2-4-22(23)27(35)34(26)24-11-10-20(28)16-30-24/h2-11,13,15-16,21H,12,14,17H2,1H3.
What are the key properties of 3-(5-chloro-2-pyridinyl)-2-[4-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]phenyl]quinazolin-4-one?
3-(5-chloro-2-pyridinyl)-2-[4-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]phenyl]quinazolin-4-one has a molecular weight of 482.98 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridinyl)-2-[4-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]phenyl]quinazolin-4-one is sourced from PubChem (CID 10345187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).