N-cyclopropyl-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide

C24H21N5O3 — CID 135894349

IUPACN-cyclopropyl-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2
InChIInChI=1S/C24H21N5O3/c30-23(27-18-3-4-18)14-2-6-21-15(7-14)8-16(12-32-21)22-28-20-5-1-13(17-10-25-26-11-17)9-19(20)24(31)29-22/h1-2,5-7,9-11,16,18H,3-4,8,12H2,(H,25,26)(H,27,30)(H,28,29,31)
InChIKeyVFAIQZQSSKJRCW-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.92
Rot. Bonds4

About N-cyclopropyl-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide

N-cyclopropyl-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 135894349) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID135894349
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC NameN-cyclopropyl-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2
InChIInChI=1S/C24H21N5O3/c30-23(27-18-3-4-18)14-2-6-21-15(7-14)8-16(12-32-21)22-28-20-5-1-13(17-10-25-26-11-17)9-19(20)24(31)29-22/h1-2,5-7,9-11,16,18H,3-4,8,12H2,(H,25,26)(H,27,30)(H,28,29,31)
InChIKeyVFAIQZQSSKJRCW-UHFFFAOYSA-N
XLogP2.92
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-3-yl)-6-(1H-pyrazol-4-yl)-3,4-dihydroquinazolin-4-one
CID 136141557
2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 135894328
N-(2-methoxyethyl)-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 135894347
3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 135894350
N-(2-morpholin-4-ylethyl)-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 135894352
2-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136030684
N-[2-(dimethylamino)ethyl]-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 136044172
2-(6-fluorochroman-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
CID 136188830
N-(4-(1H-pyrazol-4-yl)phenyl)-6-(4-methylpiperazine-1-carbonyl)chroman-3-carboxamide
CID 44124778
methyl 3-(4-(1H-pyrazol-4-yl)phenylcarbamoyl)chroman-6-carboxylate
CID 44571469
N3-(4-(1H-pyrazol-4-yl)phenyl)-N6-(2-(dimethylamino)ethyl)chroman-3,6-dicarboxamide
CID 44571470
N-(4-(1H-pyrazol-4-yl)phenyl)-6-methylchroman-3-carboxamide
CID 44571599

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-cyclopropyl-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide (CID 135894349) is N-cyclopropyl-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide is O=C(NC1CC1)c1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2.
What is the InChIKey of N-cyclopropyl-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is VFAIQZQSSKJRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c30-23(27-18-3-4-18)14-2-6-21-15(7-14)8-16(12-32-21)22-28-20-5-1-13(17-10-25-26-11-17)9-19(20)24(31)29-22/h1-2,5-7,9-11,16,18H,3-4,8,12H2,(H,25,26)(H,27,30)(H,28,29,31).
What are the key properties of N-cyclopropyl-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
N-cyclopropyl-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 135894349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).