N-[1-(5-amino-2,3-dimethylphenyl)ethyl]-6-methoxy-2-methyl-7-propylquinazolin-4-amine

C23H30N4O — CID 174196887

IUPACN-[1-(5-amino-2,3-dimethylphenyl)ethyl]-6-methoxy-2-methyl-7-propylquinazolin-4-amine
SMILESCCCc1cc2nc(C)nc(NC(C)c3cc(N)cc(C)c3C)c2cc1OC
InChIInChI=1S/C23H30N4O/c1-7-8-17-10-21-20(12-22(17)28-6)23(27-16(5)26-21)25-15(4)19-11-18(24)9-13(2)14(19)3/h9-12,15H,7-8,24H2,1-6H3,(H,25,26,27)
InChIKeyAWBBVSMEDLUMJB-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.27
Rot. Bonds6

About N-[1-(5-amino-2,3-dimethylphenyl)ethyl]-6-methoxy-2-methyl-7-propylquinazolin-4-amine

N-[1-(5-amino-2,3-dimethylphenyl)ethyl]-6-methoxy-2-methyl-7-propylquinazolin-4-amine (PubChem CID 174196887) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[1-(5-amino-2,3-dimethylphenyl)ethyl]-6-methoxy-2-methyl-7-propylquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(5-amino-2,3-dimethylphenyl)ethyl]-6-methoxy-2-methyl-7-propylquinazolin-4-amine
PubChem CID174196887
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-[1-(5-amino-2,3-dimethylphenyl)ethyl]-6-methoxy-2-methyl-7-propylquinazolin-4-amine
SMILESCCCc1cc2nc(C)nc(NC(C)c3cc(N)cc(C)c3C)c2cc1OC
InChIInChI=1S/C23H30N4O/c1-7-8-17-10-21-20(12-22(17)28-6)23(27-16(5)26-21)25-15(4)19-11-18(24)9-13(2)14(19)3/h9-12,15H,7-8,24H2,1-6H3,(H,25,26,27)
InChIKeyAWBBVSMEDLUMJB-UHFFFAOYSA-N
XLogP5.27
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 174181337
6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine
CID 177115997
N-[(1R)-1-[5-amino-2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 155520201
N-[2-[4-[[(1R)-1-[5-amino-2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxyethyl]-N,2-dimethylpropanamide
CID 170145982
N-[(1R)-1-[5-amino-2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[[1-[(1S)-1-(dimethylamino)ethyl]cyclopropyl]methoxy]-7-methoxy-2-methylquinazolin-4-amine
CID 167029001
N-[1-(4-bromophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 135336419
7-(9-aminonon-7-ynyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-6-methoxy-2-methylquinazolin-4-amine
CID 165134820
1-[3-amino-5-[(1R)-1-[[6-(1,3-dimethoxypropan-2-yloxy)-7-methoxy-2-methylquinazolin-4-yl]amino]ethyl]phenyl]-1,1-difluoro-2-methylpropan-2-ol
CID 167029027
6,7-dimethoxy-2-methyl-N-[1-(2-methylindazol-7-yl)ethyl]quinazolin-4-amine
CID 146197421
4-[4-[[(1R)-1-(5-amino-2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]cyclohex-3-ene-1-carboxylic acid
CID 160544000
N-[(1R)-1-[5-amino-2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[(1R)-1-[3-[(dimethylamino)methyl]oxetan-3-yl]ethoxy]-7-methoxy-2-methylquinazolin-4-amine
CID 167028989
[4-[[(1R)-1-(3-amino-5-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl] 4-ethylpiperazine-1-carboxylate
CID 174280243

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-2,3-dimethylphenyl)ethyl]-6-methoxy-2-methyl-7-propylquinazolin-4-amine?
The IUPAC name of N-[1-(5-amino-2,3-dimethylphenyl)ethyl]-6-methoxy-2-methyl-7-propylquinazolin-4-amine (CID 174196887) is N-[1-(5-amino-2,3-dimethylphenyl)ethyl]-6-methoxy-2-methyl-7-propylquinazolin-4-amine.
What is the SMILES notation for N-[1-(5-amino-2,3-dimethylphenyl)ethyl]-6-methoxy-2-methyl-7-propylquinazolin-4-amine?
The canonical SMILES for N-[1-(5-amino-2,3-dimethylphenyl)ethyl]-6-methoxy-2-methyl-7-propylquinazolin-4-amine is CCCc1cc2nc(C)nc(NC(C)c3cc(N)cc(C)c3C)c2cc1OC.
What is the InChIKey of N-[1-(5-amino-2,3-dimethylphenyl)ethyl]-6-methoxy-2-methyl-7-propylquinazolin-4-amine?
The InChIKey is AWBBVSMEDLUMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-7-8-17-10-21-20(12-22(17)28-6)23(27-16(5)26-21)25-15(4)19-11-18(24)9-13(2)14(19)3/h9-12,15H,7-8,24H2,1-6H3,(H,25,26,27).
What are the key properties of N-[1-(5-amino-2,3-dimethylphenyl)ethyl]-6-methoxy-2-methyl-7-propylquinazolin-4-amine?
N-[1-(5-amino-2,3-dimethylphenyl)ethyl]-6-methoxy-2-methyl-7-propylquinazolin-4-amine has a molecular weight of 378.52 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-2,3-dimethylphenyl)ethyl]-6-methoxy-2-methyl-7-propylquinazolin-4-amine is sourced from PubChem (CID 174196887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).