(1E,3Z)-2-[1-(6,7-dimethoxy-4-phenylquinazolin-2-yl)pyrazol-4-yl]-N,N-dimethylpenta-1,3-dien-1-amine

C26H27N5O2 — CID 162728437

IUPAC(1E,3Z)-2-[1-(6,7-dimethoxy-4-phenylquinazolin-2-yl)pyrazol-4-yl]-N,N-dimethylpenta-1,3-dien-1-amine
SMILESC/C=C\C(=C/N(C)C)c1cnn(-c2nc(-c3ccccc3)c3cc(OC)c(OC)cc3n2)c1
InChIInChI=1S/C26H27N5O2/c1-6-10-19(16-30(2)3)20-15-27-31(17-20)26-28-22-14-24(33-5)23(32-4)13-21(22)25(29-26)18-11-8-7-9-12-18/h6-17H,1-5H3/b10-6-,19-16+
InChIKeyDKXVPLQYFROCJK-KQYNBXRASA-N
MW441.54 g/mol
LogP4.98
Rot. Bonds7

About (1E,3Z)-2-[1-(6,7-dimethoxy-4-phenylquinazolin-2-yl)pyrazol-4-yl]-N,N-dimethylpenta-1,3-dien-1-amine

(1E,3Z)-2-[1-(6,7-dimethoxy-4-phenylquinazolin-2-yl)pyrazol-4-yl]-N,N-dimethylpenta-1,3-dien-1-amine (PubChem CID 162728437) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is (1E,3Z)-2-[1-(6,7-dimethoxy-4-phenylquinazolin-2-yl)pyrazol-4-yl]-N,N-dimethylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-2-[1-(6,7-dimethoxy-4-phenylquinazolin-2-yl)pyrazol-4-yl]-N,N-dimethylpenta-1,3-dien-1-amine
PubChem CID162728437
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name(1E,3Z)-2-[1-(6,7-dimethoxy-4-phenylquinazolin-2-yl)pyrazol-4-yl]-N,N-dimethylpenta-1,3-dien-1-amine
SMILESC/C=C\C(=C/N(C)C)c1cnn(-c2nc(-c3ccccc3)c3cc(OC)c(OC)cc3n2)c1
InChIInChI=1S/C26H27N5O2/c1-6-10-19(16-30(2)3)20-15-27-31(17-20)26-28-22-14-24(33-5)23(32-4)13-21(22)25(29-26)18-11-8-7-9-12-18/h6-17H,1-5H3/b10-6-,19-16+
InChIKeyDKXVPLQYFROCJK-KQYNBXRASA-N
XLogP4.98
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone
CID 162728427
[4-[1-[4-[6-(dimethylamino)-3-pyridinyl]-6,7-dimethoxyquinazolin-2-yl]pyrazol-4-yl]phenyl]-oxosulfanium
CID 174198576
2-[(3S)-3-fluoropyrrolidin-1-yl]-6,7-dimethoxy-4-(1-phenylpyrazol-4-yl)quinazoline
CID 178146084
6-methoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-7-phenylmethoxy-4-thiophen-3-ylquinazoline
CID 178107748
6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458
4-[1-(6,7-dimethoxy-4-thiophen-3-ylquinazolin-2-yl)pyrazol-4-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 162728408
4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine
CID 22626608
N-[[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl]-N-phenylaniline
CID 67716628
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one
CID 158002363
(6,7-dimethoxy-3-phenylquinoxalin-2-yl)-phenylmethanone
CID 91474322
6-(3,4-dimethoxyphenyl)-4-phenylquinazoline
CID 25054917

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-[1-(6,7-dimethoxy-4-phenylquinazolin-2-yl)pyrazol-4-yl]-N,N-dimethylpenta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-2-[1-(6,7-dimethoxy-4-phenylquinazolin-2-yl)pyrazol-4-yl]-N,N-dimethylpenta-1,3-dien-1-amine (CID 162728437) is (1E,3Z)-2-[1-(6,7-dimethoxy-4-phenylquinazolin-2-yl)pyrazol-4-yl]-N,N-dimethylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-2-[1-(6,7-dimethoxy-4-phenylquinazolin-2-yl)pyrazol-4-yl]-N,N-dimethylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-2-[1-(6,7-dimethoxy-4-phenylquinazolin-2-yl)pyrazol-4-yl]-N,N-dimethylpenta-1,3-dien-1-amine is C/C=C\C(=C/N(C)C)c1cnn(-c2nc(-c3ccccc3)c3cc(OC)c(OC)cc3n2)c1.
What is the InChIKey of (1E,3Z)-2-[1-(6,7-dimethoxy-4-phenylquinazolin-2-yl)pyrazol-4-yl]-N,N-dimethylpenta-1,3-dien-1-amine?
The InChIKey is DKXVPLQYFROCJK-KQYNBXRASA-N. The full InChI is InChI=1S/C26H27N5O2/c1-6-10-19(16-30(2)3)20-15-27-31(17-20)26-28-22-14-24(33-5)23(32-4)13-21(22)25(29-26)18-11-8-7-9-12-18/h6-17H,1-5H3/b10-6-,19-16+.
What are the key properties of (1E,3Z)-2-[1-(6,7-dimethoxy-4-phenylquinazolin-2-yl)pyrazol-4-yl]-N,N-dimethylpenta-1,3-dien-1-amine?
(1E,3Z)-2-[1-(6,7-dimethoxy-4-phenylquinazolin-2-yl)pyrazol-4-yl]-N,N-dimethylpenta-1,3-dien-1-amine has a molecular weight of 441.54 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-[1-(6,7-dimethoxy-4-phenylquinazolin-2-yl)pyrazol-4-yl]-N,N-dimethylpenta-1,3-dien-1-amine is sourced from PubChem (CID 162728437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).