6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine

C20H16ClN5 — CID 134816680

IUPAC6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
SMILESClc1ccc2nc(-c3ccccc3)nc(Nc3cc(C4CC4)[nH]n3)c2c1
InChIInChI=1S/C20H16ClN5/c21-14-8-9-16-15(10-14)20(23-18-11-17(25-26-18)12-6-7-12)24-19(22-16)13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H2,22,23,24,25,26)
InChIKeyFWZSHVGHFOUDDF-UHFFFAOYSA-N
MW361.84 g/mol
LogP5.29
Rot. Bonds4

About 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine

6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine (PubChem CID 134816680) has the molecular formula C20H16ClN5 and a molecular weight of 361.84 g/mol. Its IUPAC name is 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
PubChem CID134816680
Molecular FormulaC20H16ClN5
Molecular Weight361.84 g/mol
Exact Mass361.11
IUPAC Name6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
SMILESClc1ccc2nc(-c3ccccc3)nc(Nc3cc(C4CC4)[nH]n3)c2c1
InChIInChI=1S/C20H16ClN5/c21-14-8-9-16-15(10-14)20(23-18-11-17(25-26-18)12-6-7-12)24-19(22-16)13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H2,22,23,24,25,26)
InChIKeyFWZSHVGHFOUDDF-UHFFFAOYSA-N
XLogP5.29
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.84
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine?
The IUPAC name of 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine (CID 134816680) is 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine?
The canonical SMILES for 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine is Clc1ccc2nc(-c3ccccc3)nc(Nc3cc(C4CC4)[nH]n3)c2c1.
What is the InChIKey of 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine?
The InChIKey is FWZSHVGHFOUDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5/c21-14-8-9-16-15(10-14)20(23-18-11-17(25-26-18)12-6-7-12)24-19(22-16)13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H2,22,23,24,25,26).
What are the key properties of 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine?
6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine has a molecular weight of 361.84 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine is sourced from PubChem (CID 134816680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).