N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide

C15H15N5O2 — CID 32606845

IUPACN-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCn1cc(NC(=O)CCn2cnc3ccccc3c2=O)cn1
InChIInChI=1S/C15H15N5O2/c1-19-9-11(8-17-19)18-14(21)6-7-20-10-16-13-5-3-2-4-12(13)15(20)22/h2-5,8-10H,6-7H2,1H3,(H,18,21)
InChIKeyPJYRGWMDKAEVKB-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.16
Rot. Bonds4

About N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 32606845) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID32606845
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCn1cc(NC(=O)CCn2cnc3ccccc3c2=O)cn1
InChIInChI=1S/C15H15N5O2/c1-19-9-11(8-17-19)18-14(21)6-7-20-10-16-13-5-3-2-4-12(13)15(20)22/h2-5,8-10H,6-7H2,1H3,(H,18,21)
InChIKeyPJYRGWMDKAEVKB-UHFFFAOYSA-N
XLogP1.16
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 121022822
N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 34756761
N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 33158076
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 4911549
N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4903088
3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide
CID 56762237
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55471858
3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 1291315

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 32606845) is N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide is Cn1cc(NC(=O)CCn2cnc3ccccc3c2=O)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is PJYRGWMDKAEVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-19-9-11(8-17-19)18-14(21)6-7-20-10-16-13-5-3-2-4-12(13)15(20)22/h2-5,8-10H,6-7H2,1H3,(H,18,21).
What are the key properties of N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 297.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 32606845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).