3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol

C23H22ClN3O2 — CID 178090896

IUPAC3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
SMILESCOc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccccc3)N2CCCO)nc1
InChIInChI=1S/C23H22ClN3O2/c1-29-18-9-11-21(25-15-18)23-26-20-10-8-17(24)14-19(20)22(27(23)12-5-13-28)16-6-3-2-4-7-16/h2-4,6-11,14-15,22,28H,5,12-13H2,1H3
InChIKeyGJILIQSGMGRSFV-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.61
Rot. Bonds6

About 3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol

3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol (PubChem CID 178090896) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
PubChem CID178090896
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
SMILESCOc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccccc3)N2CCCO)nc1
InChIInChI=1S/C23H22ClN3O2/c1-29-18-9-11-21(25-15-18)23-26-20-10-8-17(24)14-19(20)22(27(23)12-5-13-28)16-6-3-2-4-7-16/h2-4,6-11,14-15,22,28H,5,12-13H2,1H3
InChIKeyGJILIQSGMGRSFV-UHFFFAOYSA-N
XLogP4.61
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol with MolForge

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Related Compounds

3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090768
methyl 2-[6-chloro-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 3717703
3-[6-bromo-2-(4-ethoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090778
3-[6-bromo-2-[4-(2-methoxyethoxy)phenyl]-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090771
3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090766
methyl 2-[6-chloro-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 3808079
methyl 3-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propanoate
CID 178090791
6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline
CID 54757710
tert-butyl N-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]carbamate
CID 54757900
2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
CID 3137629
(4Z)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-hydroxypropyl)-5-phenylpyrrolidine-2,3-dione
CID 6243946
2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide
CID 178090840

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol?
The IUPAC name of 3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol (CID 178090896) is 3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol?
The canonical SMILES for 3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol is COc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccccc3)N2CCCO)nc1.
What is the InChIKey of 3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol?
The InChIKey is GJILIQSGMGRSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-29-18-9-11-21(25-15-18)23-26-20-10-8-17(24)14-19(20)22(27(23)12-5-13-28)16-6-3-2-4-7-16/h2-4,6-11,14-15,22,28H,5,12-13H2,1H3.
What are the key properties of 3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol?
3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol has a molecular weight of 407.90 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol is sourced from PubChem (CID 178090896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).