formic acid;7-[1-(3-methoxypropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-pyridinyl)propyl]quinazolin-2-amine

C25H30N6O3 — CID 171675053

IUPACformic acid;7-[1-(3-methoxypropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-pyridinyl)propyl]quinazolin-2-amine
SMILESCOCCCn1cc(-c2ccc3cnc(NCCCc4cc(C)ccn4)nc3c2)cn1.O=CO
InChIInChI=1S/C24H28N6O.CH2O2/c1-18-8-10-25-22(13-18)5-3-9-26-24-27-15-20-7-6-19(14-23(20)29-24)21-16-28-30(17-21)11-4-12-31-2;2-1-3/h6-8,10,13-17H,3-5,9,11-12H2,1-2H3,(H,26,27,29);1H,(H,2,3)
InChIKeyJUYNFMSRWQBUMR-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.98
Rot. Bonds10

About formic acid;7-[1-(3-methoxypropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-pyridinyl)propyl]quinazolin-2-amine

formic acid;7-[1-(3-methoxypropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-pyridinyl)propyl]quinazolin-2-amine (PubChem CID 171675053) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is formic acid;7-[1-(3-methoxypropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-pyridinyl)propyl]quinazolin-2-amine.

Molecular Properties

Compound Nameformic acid;7-[1-(3-methoxypropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-pyridinyl)propyl]quinazolin-2-amine
PubChem CID171675053
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Nameformic acid;7-[1-(3-methoxypropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-pyridinyl)propyl]quinazolin-2-amine
SMILESCOCCCn1cc(-c2ccc3cnc(NCCCc4cc(C)ccn4)nc3c2)cn1.O=CO
InChIInChI=1S/C24H28N6O.CH2O2/c1-18-8-10-25-22(13-18)5-3-9-26-24-27-15-20-7-6-19(14-23(20)29-24)21-16-28-30(17-21)11-4-12-31-2;2-1-3/h6-8,10,13-17H,3-5,9,11-12H2,1-2H3,(H,26,27,29);1H,(H,2,3)
InChIKeyJUYNFMSRWQBUMR-UHFFFAOYSA-N
XLogP3.98
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole
CID 166333734
[4-[1-(3-methoxypropyl)pyrazol-4-yl]-2,6-dimethylphenyl]methanol
CID 172876868
2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138587369
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
N-ethyl-2-(3-methoxypropylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109300149
(2S)-2-hydroxy-N-(3-methoxypropyl)-3-[4-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]propanamide
CID 118208488
1-[4-[1-(3-methoxypropyl)pyrazol-4-yl]-3-methylphenyl]ethanone
CID 172877582
2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138587826
N-[3-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]acetamide
CID 154687718
3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
CID 126444492
2-(3-methoxypropylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109299997
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide
CID 138590788

Frequently Asked Questions

What is the IUPAC name of formic acid;7-[1-(3-methoxypropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-pyridinyl)propyl]quinazolin-2-amine?
The IUPAC name of formic acid;7-[1-(3-methoxypropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-pyridinyl)propyl]quinazolin-2-amine (CID 171675053) is formic acid;7-[1-(3-methoxypropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-pyridinyl)propyl]quinazolin-2-amine.
What is the SMILES notation for formic acid;7-[1-(3-methoxypropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-pyridinyl)propyl]quinazolin-2-amine?
The canonical SMILES for formic acid;7-[1-(3-methoxypropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-pyridinyl)propyl]quinazolin-2-amine is COCCCn1cc(-c2ccc3cnc(NCCCc4cc(C)ccn4)nc3c2)cn1.O=CO.
What is the InChIKey of formic acid;7-[1-(3-methoxypropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-pyridinyl)propyl]quinazolin-2-amine?
The InChIKey is JUYNFMSRWQBUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O.CH2O2/c1-18-8-10-25-22(13-18)5-3-9-26-24-27-15-20-7-6-19(14-23(20)29-24)21-16-28-30(17-21)11-4-12-31-2;2-1-3/h6-8,10,13-17H,3-5,9,11-12H2,1-2H3,(H,26,27,29);1H,(H,2,3).
What are the key properties of formic acid;7-[1-(3-methoxypropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-pyridinyl)propyl]quinazolin-2-amine?
formic acid;7-[1-(3-methoxypropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-pyridinyl)propyl]quinazolin-2-amine has a molecular weight of 462.55 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;7-[1-(3-methoxypropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-pyridinyl)propyl]quinazolin-2-amine is sourced from PubChem (CID 171675053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).