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

C21H25ClN4O — CID 67718532

IUPAC2-N-cyclohexyl-8-methoxy-4-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;/h2,4-5,8-10,13-14,16H,3,6-7,11-12H2,1H3,(H2,22,23,24,25);1H
InChIKeyGHAFPEFRWDWBHS-UHFFFAOYSA-N
MW384.91 g/mol
LogP5.55
Rot. Bonds5

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

2-N-cyclohexyl-8-methoxy-4-N-phenylquinazoline-2,4-diamine;hydrochloride (PubChem CID 67718532) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-N-cyclohexyl-8-methoxy-4-N-phenylquinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-cyclohexyl-8-methoxy-4-N-phenylquinazoline-2,4-diamine;hydrochloride
PubChem CID67718532
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name2-N-cyclohexyl-8-methoxy-4-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;/h2,4-5,8-10,13-14,16H,3,6-7,11-12H2,1H3,(H2,22,23,24,25);1H
InChIKeyGHAFPEFRWDWBHS-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 2-N-cyclohexyl-8-methoxy-4-N-phenylquinazoline-2,4-diamine;hydrochloride with MolForge

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Related Compounds

4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720850
[4-[[4-(4-chloroanilino)-8-methoxyquinazolin-2-yl]amino]cyclohexyl]methyl N,N-dimethylsulfamate
CID 139925324
2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
CID 16910827
2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963368
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
8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine
CID 10248595
2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine
CID 16910617
2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 11014968
2-N-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 56687990
4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 175747416
N-cyclohexyl-4-methylquinazolin-2-amine
CID 118714792

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-8-methoxy-4-N-phenylquinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-cyclohexyl-8-methoxy-4-N-phenylquinazoline-2,4-diamine;hydrochloride (CID 67718532) is 2-N-cyclohexyl-8-methoxy-4-N-phenylquinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-cyclohexyl-8-methoxy-4-N-phenylquinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-cyclohexyl-8-methoxy-4-N-phenylquinazoline-2,4-diamine;hydrochloride is COc1cccc2c(Nc3ccccc3)nc(NC3CCCCC3)nc12.Cl.
What is the InChIKey of 2-N-cyclohexyl-8-methoxy-4-N-phenylquinazoline-2,4-diamine;hydrochloride?
The InChIKey is GHAFPEFRWDWBHS-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;/h2,4-5,8-10,13-14,16H,3,6-7,11-12H2,1H3,(H2,22,23,24,25);1H.
What are the key properties of 2-N-cyclohexyl-8-methoxy-4-N-phenylquinazoline-2,4-diamine;hydrochloride?
2-N-cyclohexyl-8-methoxy-4-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 2-N-cyclohexyl-8-methoxy-4-N-phenylquinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 67718532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).