N-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

C22H22N4O2 — CID 135821181

IUPACN-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C22H22N4O2/c1-2-25(15-20-23-18-9-5-4-8-17(18)22(28)24-20)21(27)12-14-26-13-11-16-7-3-6-10-19(16)26/h3-11,13H,2,12,14-15H2,1H3,(H,23,24,28)
InChIKeyAFPVGSHHAJWPJD-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.32
Rot. Bonds6

About N-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

N-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (PubChem CID 135821181) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
PubChem CID135821181
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C22H22N4O2/c1-2-25(15-20-23-18-9-5-4-8-17(18)22(28)24-20)21(27)12-14-26-13-11-16-7-3-6-10-19(16)26/h3-11,13H,2,12,14-15H2,1H3,(H,23,24,28)
InChIKeyAFPVGSHHAJWPJD-UHFFFAOYSA-N
XLogP3.32
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821063
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]-3-(5-phenylfuran-2-yl)propanamide
CID 135821176
4-(2,5-dimethylphenyl)-N-ethyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
CID 135821079
N-ethyl-3-(3-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821067
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135788199
2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135820980
N-(2-methoxyethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135737950
N-ethyl-2-(1-hydroxycyclopentyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136821194
1-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 137125066
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-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The IUPAC name of N-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (CID 135821181) is N-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.
What is the SMILES notation for N-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The canonical SMILES for N-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1ccc2ccccc21.
What is the InChIKey of N-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The InChIKey is AFPVGSHHAJWPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-2-25(15-20-23-18-9-5-4-8-17(18)22(28)24-20)21(27)12-14-26-13-11-16-7-3-6-10-19(16)26/h3-11,13H,2,12,14-15H2,1H3,(H,23,24,28).
What are the key properties of N-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
N-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide has a molecular weight of 374.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is sourced from PubChem (CID 135821181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).