4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride

C21H25ClN4O — CID 67720850

IUPAC4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride
SMILESCOc1cccc2c(NC3CCCCC3)nc(Nc3ccccc3)nc12.Cl
InChIInChI=1S/C21H24N4O.ClH/c1-26-18-14-8-13-17-19(18)24-21(23-16-11-6-3-7-12-16)25-20(17)22-15-9-4-2-5-10-15;/h3,6-8,11-15H,2,4-5,9-10H2,1H3,(H2,22,23,24,25);1H
InChIKeyBHIRYCSAYXLQED-UHFFFAOYSA-N
MW384.91 g/mol
LogP5.55
Rot. Bonds5

About 4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride

4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride (PubChem CID 67720850) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is 4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride
PubChem CID67720850
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride
SMILESCOc1cccc2c(NC3CCCCC3)nc(Nc3ccccc3)nc12.Cl
InChIInChI=1S/C21H24N4O.ClH/c1-26-18-14-8-13-17-19(18)24-21(23-16-11-6-3-7-12-16)25-20(17)22-15-9-4-2-5-10-15;/h3,6-8,11-15H,2,4-5,9-10H2,1H3,(H2,22,23,24,25);1H
InChIKeyBHIRYCSAYXLQED-UHFFFAOYSA-N
XLogP5.55
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.91
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride with MolForge

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Related Compounds

2-N-cyclohexyl-8-methoxy-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67718532
4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine
CID 59682688
4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 175747416
4-N-cyclopropyl-2-N-(4-ethylsulfonyl-2-methylphenyl)-8-methoxyquinazoline-2,4-diamine
CID 67717915
N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine
CID 144970638
8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride
CID 19988739
4-N-cyclobutyl-2-N-(3,4-dimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 16657449
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine
CID 10248595
2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 11014968
4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112924879
2-N-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 56687990

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride (CID 67720850) is 4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride is COc1cccc2c(NC3CCCCC3)nc(Nc3ccccc3)nc12.Cl.
What is the InChIKey of 4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride?
The InChIKey is BHIRYCSAYXLQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O.ClH/c1-26-18-14-8-13-17-19(18)24-21(23-16-11-6-3-7-12-16)25-20(17)22-15-9-4-2-5-10-15;/h3,6-8,11-15H,2,4-5,9-10H2,1H3,(H2,22,23,24,25);1H.
What are the key properties of 4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride?
4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride has a molecular weight of 384.91 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 67720850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).