7-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine

C14H18ClN5 — CID 25178340

IUPAC7-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCNc1nc(N2CCN(C)CC2)nc2cc(Cl)ccc12
InChIInChI=1S/C14H18ClN5/c1-16-13-11-4-3-10(15)9-12(11)17-14(18-13)20-7-5-19(2)6-8-20/h3-4,9H,5-8H2,1-2H3,(H,16,17,18)
InChIKeyZXHALLHEVZLUOS-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.08
Rot. Bonds2

About 7-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine

7-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 25178340) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 7-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
PubChem CID25178340
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name7-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCNc1nc(N2CCN(C)CC2)nc2cc(Cl)ccc12
InChIInChI=1S/C14H18ClN5/c1-16-13-11-4-3-10(15)9-12(11)17-14(18-13)20-7-5-19(2)6-8-20/h3-4,9H,5-8H2,1-2H3,(H,16,17,18)
InChIKeyZXHALLHEVZLUOS-UHFFFAOYSA-N
XLogP2.08
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of 7-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine (CID 25178340) is 7-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for 7-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine is CNc1nc(N2CCN(C)CC2)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is ZXHALLHEVZLUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-16-13-11-4-3-10(15)9-12(11)17-14(18-13)20-7-5-19(2)6-8-20/h3-4,9H,5-8H2,1-2H3,(H,16,17,18).
What are the key properties of 7-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
7-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 291.79 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 25178340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).