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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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).