N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C20H19N3O3 — CID 135739396

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C20H19N3O3/c24-19(22-16-11-12-26-17-8-4-2-5-13(16)17)10-9-18-21-15-7-3-1-6-14(15)20(25)23-18/h1-8,16H,9-12H2,(H,22,24)(H,21,23,25)/t16-/m0/s1
InChIKeyDGSWEOHAMPQUFK-INIZCTEOSA-N
MW349.39 g/mol
LogP2.50
Rot. Bonds4

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135739396) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135739396
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C20H19N3O3/c24-19(22-16-11-12-26-17-8-4-2-5-13(16)17)10-9-18-21-15-7-3-1-6-14(15)20(25)23-18/h1-8,16H,9-12H2,(H,22,24)(H,21,23,25)/t16-/m0/s1
InChIKeyDGSWEOHAMPQUFK-INIZCTEOSA-N
XLogP2.50
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711278
N-(2,3-dihydro-1H-inden-1-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135886882
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570315
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanamide
CID 95305113
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135890799
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135665164
3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 135639778
[(3R)-2-oxooxolan-3-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831841
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 94017682
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9159591

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135739396) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCOc2ccccc21.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is DGSWEOHAMPQUFK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19(22-16-11-12-26-17-8-4-2-5-13(16)17)10-9-18-21-15-7-3-1-6-14(15)20(25)23-18/h1-8,16H,9-12H2,(H,22,24)(H,21,23,25)/t16-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 349.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135739396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).