2-cyclopropyl-6,7-dimethoxy-N-[(4-phenylphenyl)methyl]quinazolin-4-amine

C26H25N3O2 — CID 169133029

IUPAC2-cyclopropyl-6,7-dimethoxy-N-[(4-phenylphenyl)methyl]quinazolin-4-amine
SMILESCOc1cc2nc(C3CC3)nc(NCc3ccc(-c4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C26H25N3O2/c1-30-23-14-21-22(15-24(23)31-2)28-25(20-12-13-20)29-26(21)27-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,14-15,20H,12-13,16H2,1-2H3,(H,27,28,29)
InChIKeyWZFZRPURVBDRNL-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.80
Rot. Bonds7

About 2-cyclopropyl-6,7-dimethoxy-N-[(4-phenylphenyl)methyl]quinazolin-4-amine

2-cyclopropyl-6,7-dimethoxy-N-[(4-phenylphenyl)methyl]quinazolin-4-amine (PubChem CID 169133029) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-cyclopropyl-6,7-dimethoxy-N-[(4-phenylphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6,7-dimethoxy-N-[(4-phenylphenyl)methyl]quinazolin-4-amine
PubChem CID169133029
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name2-cyclopropyl-6,7-dimethoxy-N-[(4-phenylphenyl)methyl]quinazolin-4-amine
SMILESCOc1cc2nc(C3CC3)nc(NCc3ccc(-c4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C26H25N3O2/c1-30-23-14-21-22(15-24(23)31-2)28-25(20-12-13-20)29-26(21)27-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,14-15,20H,12-13,16H2,1-2H3,(H,27,28,29)
InChIKeyWZFZRPURVBDRNL-UHFFFAOYSA-N
XLogP5.80
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6,7-dimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 169133002
N-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 90248877
(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)hydrazine
CID 106584039
4-[[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]amino]cyclohexan-1-ol
CID 117090164
N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003392
2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine
CID 169132977
4-[[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid
CID 21003534
N-benzyl-2-cyclopropyl-6-methoxy-5-nitropyrimidin-4-amine
CID 82458864
N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 142433057
1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol
CID 84977192
2-cyclobutyl-6,7-dimethoxy-4-methylquinazoline
CID 163275248
6-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclohexylthieno[2,3-d]pyrimidin-4-amine
CID 57279027

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6,7-dimethoxy-N-[(4-phenylphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-cyclopropyl-6,7-dimethoxy-N-[(4-phenylphenyl)methyl]quinazolin-4-amine (CID 169133029) is 2-cyclopropyl-6,7-dimethoxy-N-[(4-phenylphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6,7-dimethoxy-N-[(4-phenylphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-cyclopropyl-6,7-dimethoxy-N-[(4-phenylphenyl)methyl]quinazolin-4-amine is COc1cc2nc(C3CC3)nc(NCc3ccc(-c4ccccc4)cc3)c2cc1OC.
What is the InChIKey of 2-cyclopropyl-6,7-dimethoxy-N-[(4-phenylphenyl)methyl]quinazolin-4-amine?
The InChIKey is WZFZRPURVBDRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-30-23-14-21-22(15-24(23)31-2)28-25(20-12-13-20)29-26(21)27-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,14-15,20H,12-13,16H2,1-2H3,(H,27,28,29).
What are the key properties of 2-cyclopropyl-6,7-dimethoxy-N-[(4-phenylphenyl)methyl]quinazolin-4-amine?
2-cyclopropyl-6,7-dimethoxy-N-[(4-phenylphenyl)methyl]quinazolin-4-amine has a molecular weight of 411.51 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6,7-dimethoxy-N-[(4-phenylphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 169133029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).