6-(azetidin-3-yl)-N-(3-chloro-2-fluoro-4-methylphenyl)-7-propylquinazolin-4-amine

C21H22ClFN4 — CID 167487913

IUPAC6-(azetidin-3-yl)-N-(3-chloro-2-fluoro-4-methylphenyl)-7-propylquinazolin-4-amine
SMILESCCCc1cc2ncnc(Nc3ccc(C)c(Cl)c3F)c2cc1C1CNC1
InChIInChI=1S/C21H22ClFN4/c1-3-4-13-7-18-16(8-15(13)14-9-24-10-14)21(26-11-25-18)27-17-6-5-12(2)19(22)20(17)23/h5-8,11,14,24H,3-4,9-10H2,1-2H3,(H,25,26,27)
InChIKeyRAEGDYZZEYQMHX-UHFFFAOYSA-N
MW384.89 g/mol
LogP5.11
Rot. Bonds5

About 6-(azetidin-3-yl)-N-(3-chloro-2-fluoro-4-methylphenyl)-7-propylquinazolin-4-amine

6-(azetidin-3-yl)-N-(3-chloro-2-fluoro-4-methylphenyl)-7-propylquinazolin-4-amine (PubChem CID 167487913) has the molecular formula C21H22ClFN4 and a molecular weight of 384.89 g/mol. Its IUPAC name is 6-(azetidin-3-yl)-N-(3-chloro-2-fluoro-4-methylphenyl)-7-propylquinazolin-4-amine.

Molecular Properties

Compound Name6-(azetidin-3-yl)-N-(3-chloro-2-fluoro-4-methylphenyl)-7-propylquinazolin-4-amine
PubChem CID167487913
Molecular FormulaC21H22ClFN4
Molecular Weight384.89 g/mol
Exact Mass384.15
IUPAC Name6-(azetidin-3-yl)-N-(3-chloro-2-fluoro-4-methylphenyl)-7-propylquinazolin-4-amine
SMILESCCCc1cc2ncnc(Nc3ccc(C)c(Cl)c3F)c2cc1C1CNC1
InChIInChI=1S/C21H22ClFN4/c1-3-4-13-7-18-16(8-15(13)14-9-24-10-14)21(26-11-25-18)27-17-6-5-12(2)19(22)20(17)23/h5-8,11,14,24H,3-4,9-10H2,1-2H3,(H,25,26,27)
InChIKeyRAEGDYZZEYQMHX-UHFFFAOYSA-N
XLogP5.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.89
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azetidin-3-yl)-4-(3-chloro-2-fluoro-4-methylanilino)quinazolin-7-ol;ethane
CID 167487704
6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine
CID 156505188
6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 167424492
6-[[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]oxy]-N-(3-chloro-2,4-difluorophenyl)-7-methoxyquinazolin-4-amine
CID 174819906
7-[[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methoxy]-N-(4-chloro-2-fluoro-3-methylphenyl)-6-methoxyquinazolin-4-amine
CID 118457220
N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine
CID 166539429
N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride
CID 167487925
1-[2-[4-(4-bromo-3-chloro-2-fluoroanilino)quinazolin-7-yl]oxyethyl]-3-propylurea
CID 141171359
N-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 166539548
N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine
CID 166540141
N-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine
CID 166539801
6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine
CID 164870314

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yl)-N-(3-chloro-2-fluoro-4-methylphenyl)-7-propylquinazolin-4-amine?
The IUPAC name of 6-(azetidin-3-yl)-N-(3-chloro-2-fluoro-4-methylphenyl)-7-propylquinazolin-4-amine (CID 167487913) is 6-(azetidin-3-yl)-N-(3-chloro-2-fluoro-4-methylphenyl)-7-propylquinazolin-4-amine.
What is the SMILES notation for 6-(azetidin-3-yl)-N-(3-chloro-2-fluoro-4-methylphenyl)-7-propylquinazolin-4-amine?
The canonical SMILES for 6-(azetidin-3-yl)-N-(3-chloro-2-fluoro-4-methylphenyl)-7-propylquinazolin-4-amine is CCCc1cc2ncnc(Nc3ccc(C)c(Cl)c3F)c2cc1C1CNC1.
What is the InChIKey of 6-(azetidin-3-yl)-N-(3-chloro-2-fluoro-4-methylphenyl)-7-propylquinazolin-4-amine?
The InChIKey is RAEGDYZZEYQMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN4/c1-3-4-13-7-18-16(8-15(13)14-9-24-10-14)21(26-11-25-18)27-17-6-5-12(2)19(22)20(17)23/h5-8,11,14,24H,3-4,9-10H2,1-2H3,(H,25,26,27).
What are the key properties of 6-(azetidin-3-yl)-N-(3-chloro-2-fluoro-4-methylphenyl)-7-propylquinazolin-4-amine?
6-(azetidin-3-yl)-N-(3-chloro-2-fluoro-4-methylphenyl)-7-propylquinazolin-4-amine has a molecular weight of 384.89 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-yl)-N-(3-chloro-2-fluoro-4-methylphenyl)-7-propylquinazolin-4-amine is sourced from PubChem (CID 167487913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).