4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine

C16H22N4O2 — CID 57342963

IUPAC4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine
SMILESCOc1cc2nc(N)nc(NC3CCCCC3)c2cc1OC
InChIInChI=1S/C16H22N4O2/c1-21-13-8-11-12(9-14(13)22-2)19-16(17)20-15(11)18-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H3,17,18,19,20)
InChIKeyQTCBQZQQFUSWOQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.97
Rot. Bonds4

About 4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine

4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine (PubChem CID 57342963) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine
PubChem CID57342963
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine
SMILESCOc1cc2nc(N)nc(NC3CCCCC3)c2cc1OC
InChIInChI=1S/C16H22N4O2/c1-21-13-8-11-12(9-14(13)22-2)19-16(17)20-15(11)18-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H3,17,18,19,20)
InChIKeyQTCBQZQQFUSWOQ-UHFFFAOYSA-N
XLogP2.97
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
CID 22692592
N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003381
N-cyclohexyl-3-cyclopropyl-6,7-dimethoxyisoquinolin-1-amine
CID 53475103
4-N-cyclooctylquinazoline-2,4-diamine
CID 80786546
4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine
CID 69014350
2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine
CID 46901939
2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol
CID 57342964
1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone
CID 71738547
4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine
CID 69015335
6,7-dimethoxy-4-(oxan-4-ylamino)quinazoline-2-carbonitrile
CID 177380055
6-(6-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine
CID 87658802
4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine
CID 69013354

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine (CID 57342963) is 4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine is COc1cc2nc(N)nc(NC3CCCCC3)c2cc1OC.
What is the InChIKey of 4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine?
The InChIKey is QTCBQZQQFUSWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-21-13-8-11-12(9-14(13)22-2)19-16(17)20-15(11)18-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine?
4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine has a molecular weight of 302.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine is sourced from PubChem (CID 57342963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).