4-(1,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine;hydrochloride

C26H26ClFN4O — CID 21476486

IUPAC4-(1,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine;hydrochloride
SMILESCOc1cccc2c(N3CCc4cccc(C)c4C3C)nc(Nc3ccc(F)cc3)nc12.Cl
InChIInChI=1S/C26H25FN4O.ClH/c1-16-6-4-7-18-14-15-31(17(2)23(16)18)25-21-8-5-9-22(32-3)24(21)29-26(30-25)28-20-12-10-19(27)11-13-20;/h4-13,17H,14-15H2,1-3H3,(H,28,29,30);1H
InChIKeyLPCZXXZILALDNJ-UHFFFAOYSA-N
MW464.97 g/mol
LogP6.38
Rot. Bonds4

About 4-(1,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine;hydrochloride

4-(1,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine;hydrochloride (PubChem CID 21476486) has the molecular formula C26H26ClFN4O and a molecular weight of 464.97 g/mol. Its IUPAC name is 4-(1,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(1,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine;hydrochloride
PubChem CID21476486
Molecular FormulaC26H26ClFN4O
Molecular Weight464.97 g/mol
Exact Mass464.18
IUPAC Name4-(1,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine;hydrochloride
SMILESCOc1cccc2c(N3CCc4cccc(C)c4C3C)nc(Nc3ccc(F)cc3)nc12.Cl
InChIInChI=1S/C26H25FN4O.ClH/c1-16-6-4-7-18-14-15-31(17(2)23(16)18)25-21-8-5-9-22(32-3)24(21)29-26(30-25)28-20-12-10-19(27)11-13-20;/h4-13,17H,14-15H2,1-3H3,(H,28,29,30);1H
InChIKeyLPCZXXZILALDNJ-UHFFFAOYSA-N
XLogP6.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.97
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine;hydrochloride with MolForge

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Related Compounds

8-Methoxy-2-piperazin-1-yl-quinoline
CID 22636319
2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline
CID 71542890
N-(4-fluoro-2-methylphenyl)-8-methoxy-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
CID 21476448
N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
CID 24805876
6-methoxy-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)quinolin-2-amine
CID 24806071
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methylquinolin-2-amine
CID 24806074
N-(2-methoxyphenyl)-2-phenylquinazolin-4-amine
CID 719282
N-(2,4-dimethoxyphenyl)-2-(1-piperidinyl)-4-quinazolinamine
CID 1282354
N4-benzyl-N2-(2-methoxyphenyl)quinazoline-2,4-diamine
CID 1415819
6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 3234753
8-(3-Dimethylaminopropoxy)-2-[(2-methylphenyl)amino]-4-(N-methylphenylamino)quinazoline
CID 10003444
8-Methoxy-N*2*-methyl-N*2*-phenyl-N*4*-o-tolyl-quinazoline-2,4-diamine
CID 10022071

Frequently Asked Questions

What is the IUPAC name of 4-(1,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine;hydrochloride?
The IUPAC name of 4-(1,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine;hydrochloride (CID 21476486) is 4-(1,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine;hydrochloride.
What is the SMILES notation for 4-(1,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine;hydrochloride?
The canonical SMILES for 4-(1,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine;hydrochloride is COc1cccc2c(N3CCc4cccc(C)c4C3C)nc(Nc3ccc(F)cc3)nc12.Cl.
What is the InChIKey of 4-(1,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine;hydrochloride?
The InChIKey is LPCZXXZILALDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O.ClH/c1-16-6-4-7-18-14-15-31(17(2)23(16)18)25-21-8-5-9-22(32-3)24(21)29-26(30-25)28-20-12-10-19(27)11-13-20;/h4-13,17H,14-15H2,1-3H3,(H,28,29,30);1H.
What are the key properties of 4-(1,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine;hydrochloride?
4-(1,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine;hydrochloride has a molecular weight of 464.97 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine;hydrochloride is sourced from PubChem (CID 21476486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).