1-methoxybutane;N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]formamide

C25H29N5O3 — CID 169231723

IUPAC1-methoxybutane;N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]formamide
SMILESCCCCOC.COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC=O
InChIInChI=1S/C20H17N5O2.C5H12O/c1-25-10-15(19(24-25)13-6-4-3-5-7-13)20-14-8-17(23-12-26)18(27-2)9-16(14)21-11-22-20;1-3-4-5-6-2/h3-12H,1-2H3,(H,23,26);3-5H2,1-2H3
InChIKeyQABYJVJBCNZBQV-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.71
Rot. Bonds8

About 1-methoxybutane;N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]formamide

1-methoxybutane;N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]formamide (PubChem CID 169231723) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-methoxybutane;N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]formamide.

Molecular Properties

Compound Name1-methoxybutane;N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]formamide
PubChem CID169231723
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name1-methoxybutane;N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]formamide
SMILESCCCCOC.COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC=O
InChIInChI=1S/C20H17N5O2.C5H12O/c1-25-10-15(19(24-25)13-6-4-3-5-7-13)20-14-8-17(23-12-26)18(27-2)9-16(14)21-11-22-20;1-3-4-5-6-2/h3-12H,1-2H3,(H,23,26);3-5H2,1-2H3
InChIKeyQABYJVJBCNZBQV-UHFFFAOYSA-N
XLogP4.71
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone
CID 169231124
7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine
CID 169231992
cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide
CID 169231672
6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline
CID 169231449
[4-(1-methyl-3-phenylpyrazol-4-yl)-6-(propanoylamino)quinazolin-7-yl] trifluoromethanesulfonate
CID 169231676
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide
CID 176837271
N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]bicyclo[1.1.1]pentane-1-carboxamide
CID 169231836
6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline
CID 169231514
N-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide
CID 169231096
6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline
CID 169231902
(3S,4S)-3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 170162449
tert-butyl 4-[[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]carbamoyl]-2-methylpiperazine-1-carboxylate
CID 169231303

Frequently Asked Questions

What is the IUPAC name of 1-methoxybutane;N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]formamide?
The IUPAC name of 1-methoxybutane;N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]formamide (CID 169231723) is 1-methoxybutane;N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]formamide.
What is the SMILES notation for 1-methoxybutane;N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]formamide?
The canonical SMILES for 1-methoxybutane;N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]formamide is CCCCOC.COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC=O.
What is the InChIKey of 1-methoxybutane;N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]formamide?
The InChIKey is QABYJVJBCNZBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2.C5H12O/c1-25-10-15(19(24-25)13-6-4-3-5-7-13)20-14-8-17(23-12-26)18(27-2)9-16(14)21-11-22-20;1-3-4-5-6-2/h3-12H,1-2H3,(H,23,26);3-5H2,1-2H3.
What are the key properties of 1-methoxybutane;N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]formamide?
1-methoxybutane;N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]formamide has a molecular weight of 447.54 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybutane;N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]formamide is sourced from PubChem (CID 169231723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).