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

C22H23N3O3 — CID 18121783

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
SMILESCc1cccc2c(=O)n(CCCC(=O)NC3CCOc4ccccc43)cnc12
InChIInChI=1S/C22H23N3O3/c1-15-6-4-8-17-21(15)23-14-25(22(17)27)12-5-10-20(26)24-18-11-13-28-19-9-3-2-7-16(18)19/h2-4,6-9,14,18H,5,10-13H2,1H3,(H,24,26)
InChIKeyNJYHKDRGDYQHFI-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.13
Rot. Bonds5

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

N-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide (PubChem CID 18121783) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
PubChem CID18121783
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
SMILESCc1cccc2c(=O)n(CCCC(=O)NC3CCOc4ccccc43)cnc12
InChIInChI=1S/C22H23N3O3/c1-15-6-4-8-17-21(15)23-14-25(22(17)27)12-5-10-20(26)24-18-11-13-28-19-9-3-2-7-16(18)19/h2-4,6-9,14,18H,5,10-13H2,1H3,(H,24,26)
InChIKeyNJYHKDRGDYQHFI-UHFFFAOYSA-N
XLogP3.13
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 47015246
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 18115170
N-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 16619176
4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide
CID 17392331
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 99844064
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
diethyl 2-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]propanedioate
CID 33254183
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
N-[2-(aminomethyl)cyclohexyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 119610697
N-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 51278933
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 40672251

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide (CID 18121783) is N-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide is Cc1cccc2c(=O)n(CCCC(=O)NC3CCOc4ccccc43)cnc12.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The InChIKey is NJYHKDRGDYQHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-6-4-8-17-21(15)23-14-25(22(17)27)12-5-10-20(26)24-18-11-13-28-19-9-3-2-7-16(18)19/h2-4,6-9,14,18H,5,10-13H2,1H3,(H,24,26).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
N-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide has a molecular weight of 377.44 g/mol, XLogP of 3.13, 5 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-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 18121783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).