N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine

C23H19FN4 — CID 90095598

IUPACN-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine
SMILESCc1cc(-c2ncccc2-c2ccc3ncnc(NC4CC4)c3c2)ccc1F
InChIInChI=1S/C23H19FN4/c1-14-11-16(4-8-20(14)24)22-18(3-2-10-25-22)15-5-9-21-19(12-15)23(27-13-26-21)28-17-6-7-17/h2-5,8-13,17H,6-7H2,1H3,(H,26,27,28)
InChIKeyAWAAVAJYDRTQFA-UHFFFAOYSA-N
MW370.43 g/mol
LogP5.38
Rot. Bonds4

About N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine

N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 90095598) has the molecular formula C23H19FN4 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine
PubChem CID90095598
Molecular FormulaC23H19FN4
Molecular Weight370.43 g/mol
Exact Mass370.16
IUPAC NameN-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine
SMILESCc1cc(-c2ncccc2-c2ccc3ncnc(NC4CC4)c3c2)ccc1F
InChIInChI=1S/C23H19FN4/c1-14-11-16(4-8-20(14)24)22-18(3-2-10-25-22)15-5-9-21-19(12-15)23(27-13-26-21)28-17-6-7-17/h2-5,8-13,17H,6-7H2,1H3,(H,26,27,28)
InChIKeyAWAAVAJYDRTQFA-UHFFFAOYSA-N
XLogP5.38
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine (CID 90095598) is N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine is Cc1cc(-c2ncccc2-c2ccc3ncnc(NC4CC4)c3c2)ccc1F.
What is the InChIKey of N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is AWAAVAJYDRTQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4/c1-14-11-16(4-8-20(14)24)22-18(3-2-10-25-22)15-5-9-21-19(12-15)23(27-13-26-21)28-17-6-7-17/h2-5,8-13,17H,6-7H2,1H3,(H,26,27,28).
What are the key properties of N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 370.43 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 90095598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).