6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine

C20H28ClN5 — CID 25178339

IUPAC6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCN1CCN(c2nc(NCC3CCCCC3)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C20H28ClN5/c1-25-9-11-26(12-10-25)20-23-18-8-7-16(21)13-17(18)19(24-20)22-14-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12,14H2,1H3,(H,22,23,24)
InChIKeyYLCLVZULHOQJRR-UHFFFAOYSA-N
MW373.93 g/mol
LogP4.03
Rot. Bonds4

About 6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine

6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 25178339) has the molecular formula C20H28ClN5 and a molecular weight of 373.93 g/mol. Its IUPAC name is 6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
PubChem CID25178339
Molecular FormulaC20H28ClN5
Molecular Weight373.93 g/mol
Exact Mass373.20
IUPAC Name6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCN1CCN(c2nc(NCC3CCCCC3)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C20H28ClN5/c1-25-9-11-26(12-10-25)20-23-18-8-7-16(21)13-17(18)19(24-20)22-14-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12,14H2,1H3,(H,22,23,24)
InChIKeyYLCLVZULHOQJRR-UHFFFAOYSA-N
XLogP4.03
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of 6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine (CID 25178339) is 6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine is CN1CCN(c2nc(NCC3CCCCC3)c3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is YLCLVZULHOQJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5/c1-25-9-11-26(12-10-25)20-23-18-8-7-16(21)13-17(18)19(24-20)22-14-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12,14H2,1H3,(H,22,23,24).
What are the key properties of 6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 373.93 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 25178339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).