6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine

C19H19ClN4 — CID 3233369

IUPAC6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine
SMILESClc1ccccc1-c1ccc2ncnc(NC3CCNCC3)c2c1
InChIInChI=1S/C19H19ClN4/c20-17-4-2-1-3-15(17)13-5-6-18-16(11-13)19(23-12-22-18)24-14-7-9-21-10-8-14/h1-6,11-12,14,21H,7-10H2,(H,22,23,24)
InChIKeyCQZSKJJQTXBOJL-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.11
Rot. Bonds3

About 6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine

6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine (PubChem CID 3233369) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine
PubChem CID3233369
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine
SMILESClc1ccccc1-c1ccc2ncnc(NC3CCNCC3)c2c1
InChIInChI=1S/C19H19ClN4/c20-17-4-2-1-3-15(17)13-5-6-18-16(11-13)19(23-12-22-18)24-14-7-9-21-10-8-14/h1-6,11-12,14,21H,7-10H2,(H,22,23,24)
InChIKeyCQZSKJJQTXBOJL-UHFFFAOYSA-N
XLogP4.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine?
The IUPAC name of 6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine (CID 3233369) is 6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine?
The canonical SMILES for 6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine is Clc1ccccc1-c1ccc2ncnc(NC3CCNCC3)c2c1.
What is the InChIKey of 6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine?
The InChIKey is CQZSKJJQTXBOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c20-17-4-2-1-3-15(17)13-5-6-18-16(11-13)19(23-12-22-18)24-14-7-9-21-10-8-14/h1-6,11-12,14,21H,7-10H2,(H,22,23,24).
What are the key properties of 6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine?
6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine has a molecular weight of 338.84 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine is sourced from PubChem (CID 3233369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).