N-ethyl-2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C18H22N6O2 — CID 137125123

IUPACN-ethyl-2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(NC)c1cnn(C)c1
InChIInChI=1S/C18H22N6O2/c1-4-24(18(26)16(19-2)12-9-20-23(3)10-12)11-15-21-14-8-6-5-7-13(14)17(25)22-15/h5-10,16,19H,4,11H2,1-3H3,(H,21,22,25)
InChIKeyXRRCXTIXMKGLOL-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.97
Rot. Bonds6

About N-ethyl-2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

N-ethyl-2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 137125123) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-ethyl-2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
PubChem CID137125123
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN-ethyl-2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(NC)c1cnn(C)c1
InChIInChI=1S/C18H22N6O2/c1-4-24(18(26)16(19-2)12-9-20-23(3)10-12)11-15-21-14-8-6-5-7-13(14)17(25)22-15/h5-10,16,19H,4,11H2,1-3H3,(H,21,22,25)
InChIKeyXRRCXTIXMKGLOL-UHFFFAOYSA-N
XLogP0.97
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-ethyl-2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide with MolForge

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Related Compounds

3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
trans-(1S,2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 137137328
2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 137315315
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135830066
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 136929486
(3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide
CID 135821026
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136948205
(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 135702776
N-ethyl-1,3,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrazole-4-carboxamide
CID 137282497

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The IUPAC name of N-ethyl-2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 137125123) is N-ethyl-2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for N-ethyl-2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The canonical SMILES for N-ethyl-2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(NC)c1cnn(C)c1.
What is the InChIKey of N-ethyl-2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The InChIKey is XRRCXTIXMKGLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-4-24(18(26)16(19-2)12-9-20-23(3)10-12)11-15-21-14-8-6-5-7-13(14)17(25)22-15/h5-10,16,19H,4,11H2,1-3H3,(H,21,22,25).
What are the key properties of N-ethyl-2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
N-ethyl-2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 137125123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).