N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C21H21N3O3 — CID 51266892

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCC3COc4ccccc4C3)cnc12
InChIInChI=1S/C21H21N3O3/c1-14-5-4-7-17-20(14)23-13-24(21(17)26)11-19(25)22-10-15-9-16-6-2-3-8-18(16)27-12-15/h2-8,13,15H,9-12H2,1H3,(H,22,25)
InChIKeyNIEIZXYHJWHOMN-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.07
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 51266892) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID51266892
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCC3COc4ccccc4C3)cnc12
InChIInChI=1S/C21H21N3O3/c1-14-5-4-7-17-20(14)23-13-24(21(17)26)11-19(25)22-10-15-9-16-6-2-3-8-18(16)27-12-15/h2-8,13,15H,9-12H2,1H3,(H,22,25)
InChIKeyNIEIZXYHJWHOMN-UHFFFAOYSA-N
XLogP2.07
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 41200792
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 74237200
2-(4,5-dimethylimidazol-1-yl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)acetamide
CID 72909617
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 52507049
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide
CID 30693618
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 2603996
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 96529378
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27661543
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770445
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 72875290
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46664447

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 51266892) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1cccc2c(=O)n(CC(=O)NCC3COc4ccccc4C3)cnc12.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is NIEIZXYHJWHOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-5-4-7-17-20(14)23-13-24(21(17)26)11-19(25)22-10-15-9-16-6-2-3-8-18(16)27-12-15/h2-8,13,15H,9-12H2,1H3,(H,22,25).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 51266892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).