3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol

C22H18ClFN4O — CID 71181124

IUPAC3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol
SMILESOCCCc1ccc2c(Nc3ccc(F)c(Cl)c3)nc(-c3cccnc3)nc2c1
InChIInChI=1S/C22H18ClFN4O/c23-18-12-16(6-8-19(18)24)26-22-17-7-5-14(3-2-10-29)11-20(17)27-21(28-22)15-4-1-9-25-13-15/h1,4-9,11-13,29H,2-3,10H2,(H,26,27,28)
InChIKeyPGNOEWKBPJMWBU-UHFFFAOYSA-N
MW408.86 g/mol
LogP5.15
Rot. Bonds6

About 3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol

3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol (PubChem CID 71181124) has the molecular formula C22H18ClFN4O and a molecular weight of 408.86 g/mol. Its IUPAC name is 3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol
PubChem CID71181124
Molecular FormulaC22H18ClFN4O
Molecular Weight408.86 g/mol
Exact Mass408.12
IUPAC Name3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol
SMILESOCCCc1ccc2c(Nc3ccc(F)c(Cl)c3)nc(-c3cccnc3)nc2c1
InChIInChI=1S/C22H18ClFN4O/c23-18-12-16(6-8-19(18)24)26-22-17-7-5-14(3-2-10-29)11-20(17)27-21(28-22)15-4-1-9-25-13-15/h1,4-9,11-13,29H,2-3,10H2,(H,26,27,28)
InChIKeyPGNOEWKBPJMWBU-UHFFFAOYSA-N
XLogP5.15
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.86
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol with MolForge

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Related Compounds

4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide
CID 71180244
4-N-(3-chloro-4-fluorophenyl)-7-N-(oxan-4-yl)-2-pyridin-3-ylquinazoline-4,7-diamine
CID 71180955
4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide
CID 71180061
3-[4-(3-chloro-4-fluorophenoxy)-2-pyridin-3-ylquinazolin-6-yl]propan-1-ol
CID 71179843
7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 144500888
4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-7-carbaldehyde;4-methyl-1,4-thiazinane 1-oxide
CID 144501243
N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine
CID 71274188
4-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]but-3-enenitrile
CID 67298078
4-(3-chloro-4-fluoroanilino)-N-(2,2-dimethoxyethyl)-2-pyridin-3-ylquinazoline-6-carboxamide
CID 89347895
7-chloro-N-(1H-indazol-5-yl)-2-pyridin-3-ylquinazolin-4-amine
CID 10292688
7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 144501523
N-(3,5-dichlorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 1387933

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol?
The IUPAC name of 3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol (CID 71181124) is 3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol?
The canonical SMILES for 3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol is OCCCc1ccc2c(Nc3ccc(F)c(Cl)c3)nc(-c3cccnc3)nc2c1.
What is the InChIKey of 3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol?
The InChIKey is PGNOEWKBPJMWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O/c23-18-12-16(6-8-19(18)24)26-22-17-7-5-14(3-2-10-29)11-20(17)27-21(28-22)15-4-1-9-25-13-15/h1,4-9,11-13,29H,2-3,10H2,(H,26,27,28).
What are the key properties of 3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol?
3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol has a molecular weight of 408.86 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol is sourced from PubChem (CID 71181124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).