3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide

C21H19N5O3 — CID 167799941

IUPAC3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NCc3cn[nH]c3-c3ccccc3)ccc2c1=O
InChIInChI=1S/C21H19N5O3/c1-2-26-20(28)16-9-8-14(10-17(16)24-21(26)29)19(27)22-11-15-12-23-25-18(15)13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3,(H,22,27)(H,23,25)(H,24,29)
InChIKeyZENDJQDMPSAOEK-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.03
Rot. Bonds5

About 3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide

3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide (PubChem CID 167799941) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide
PubChem CID167799941
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NCc3cn[nH]c3-c3ccccc3)ccc2c1=O
InChIInChI=1S/C21H19N5O3/c1-2-26-20(28)16-9-8-14(10-17(16)24-21(26)29)19(27)22-11-15-12-23-25-18(15)13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3,(H,22,27)(H,23,25)(H,24,29)
InChIKeyZENDJQDMPSAOEK-UHFFFAOYSA-N
XLogP2.03
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
CID 154815730
N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide
CID 164621314
2-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-hydroxy-2,3-dihydro-4(1H)-quinazolinone
CID 3625258
4(1H)-Quinazolinone, 2-(1,5-dimethyl-1H-pyrazol-4-yl)-2,3-dihydro-3-hydroxy-
CID 4103501
1-[2-amino-4-(1H-pyrazol-3-yl)phenyl]-2-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]ethane-1,2-dione
CID 44191579
4-((4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3,4-dihydroquinoxalin-1(2H)-yl)methyl)-N-cyclopropylbenzamide
CID 54585261
N-isopropyl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide
CID 68520214
2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-hydroxy-2,3-dihydroquinazolin-4(1H)-one
CID 3239266
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 122177907
1-ethyl-2,2-dimethyl-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 127048046
1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 127048047
7-[[4-(1-acetylpyrazol-3-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 162643668

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide (CID 167799941) is 3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)NCc3cn[nH]c3-c3ccccc3)ccc2c1=O.
What is the InChIKey of 3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide?
The InChIKey is ZENDJQDMPSAOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-2-26-20(28)16-9-8-14(10-17(16)24-21(26)29)19(27)22-11-15-12-23-25-18(15)13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3,(H,22,27)(H,23,25)(H,24,29).
What are the key properties of 3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide?
3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 167799941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).