6-chloro-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine

C15H20ClN5 — CID 25179300

IUPAC6-chloro-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
SMILESCNc1nc(N2CCCN(C)CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C15H20ClN5/c1-17-14-12-10-11(16)4-5-13(12)18-15(19-14)21-7-3-6-20(2)8-9-21/h4-5,10H,3,6-9H2,1-2H3,(H,17,18,19)
InChIKeyXFBXGLNGAUZHSF-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.47
Rot. Bonds2

About 6-chloro-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine

6-chloro-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine (PubChem CID 25179300) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
PubChem CID25179300
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name6-chloro-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
SMILESCNc1nc(N2CCCN(C)CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C15H20ClN5/c1-17-14-12-10-11(16)4-5-13(12)18-15(19-14)21-7-3-6-20(2)8-9-21/h4-5,10H,3,6-9H2,1-2H3,(H,17,18,19)
InChIKeyXFBXGLNGAUZHSF-UHFFFAOYSA-N
XLogP2.47
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine?
The IUPAC name of 6-chloro-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine (CID 25179300) is 6-chloro-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine is CNc1nc(N2CCCN(C)CC2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine?
The InChIKey is XFBXGLNGAUZHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-17-14-12-10-11(16)4-5-13(12)18-15(19-14)21-7-3-6-20(2)8-9-21/h4-5,10H,3,6-9H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine?
6-chloro-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine is sourced from PubChem (CID 25179300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).