N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide

C16H20N4O3 — CID 137078511

IUPACN-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1COCCN1
InChIInChI=1S/C16H20N4O3/c1-2-20(16(22)13-10-23-8-7-17-13)9-14-18-12-6-4-3-5-11(12)15(21)19-14/h3-6,13,17H,2,7-10H2,1H3,(H,18,19,21)
InChIKeyLZXJHIGDFXHGBK-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.26
Rot. Bonds4

About N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide

N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide (PubChem CID 137078511) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide
PubChem CID137078511
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1COCCN1
InChIInChI=1S/C16H20N4O3/c1-2-20(16(22)13-10-23-8-7-17-13)9-14-18-12-6-4-3-5-11(12)15(21)19-14/h3-6,13,17H,2,7-10H2,1H3,(H,18,19,21)
InChIKeyLZXJHIGDFXHGBK-UHFFFAOYSA-N
XLogP0.26
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 137036977
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide
CID 137118075
trans-(1S,2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 137137328
N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide
CID 137216385
(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 135702776
trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide
CID 137131249
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 135821016
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135830066
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
5-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 135900604
3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide (CID 137078511) is N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1COCCN1.
What is the InChIKey of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide?
The InChIKey is LZXJHIGDFXHGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-2-20(16(22)13-10-23-8-7-17-13)9-14-18-12-6-4-3-5-11(12)15(21)19-14/h3-6,13,17H,2,7-10H2,1H3,(H,18,19,21).
What are the key properties of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide?
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 137078511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).