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

C24H23N5O4 — CID 135894347

IUPACN-(2-methoxyethyl)-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2
InChIInChI=1S/C24H23N5O4/c1-32-7-6-25-23(30)15-3-5-21-16(8-15)9-17(13-33-21)22-28-20-4-2-14(18-11-26-27-12-18)10-19(20)24(31)29-22/h2-5,8,10-12,17H,6-7,9,13H2,1H3,(H,25,30)(H,26,27)(H,28,29,31)
InChIKeyUBJUSORRTPCGKC-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.41
Rot. Bonds6

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

N-(2-methoxyethyl)-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 135894347) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID135894347
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC NameN-(2-methoxyethyl)-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2
InChIInChI=1S/C24H23N5O4/c1-32-7-6-25-23(30)15-3-5-21-16(8-15)9-17(13-33-21)22-28-20-4-2-14(18-11-26-27-12-18)10-19(20)24(31)29-22/h2-5,8,10-12,17H,6-7,9,13H2,1H3,(H,25,30)(H,26,27)(H,28,29,31)
InChIKeyUBJUSORRTPCGKC-UHFFFAOYSA-N
XLogP2.41
TPSA121.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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-cyclopropyl-3-(4-oxo-6-(1H-pyrazol-4-yl)-3,4-dihydroquinazolin-2-yl)chroman-6-carboxamide
CID 135894349
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
8-methoxy-2-((3-methoxyphenoxy)methyl)-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
CID 136188832
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

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide (CID 135894347) is N-(2-methoxyethyl)-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-(2-methoxyethyl)-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide is COCCNC(=O)c1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2.
What is the InChIKey of N-(2-methoxyethyl)-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is UBJUSORRTPCGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-32-7-6-25-23(30)15-3-5-21-16(8-15)9-17(13-33-21)22-28-20-4-2-14(18-11-26-27-12-18)10-19(20)24(31)29-22/h2-5,8,10-12,17H,6-7,9,13H2,1H3,(H,25,30)(H,26,27)(H,28,29,31).
What are the key properties of N-(2-methoxyethyl)-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
N-(2-methoxyethyl)-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 135894347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).