N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C20H19N3O4 — CID 41200792

IUPACN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NC[C@H]3COc4ccccc4O3)cnc12
InChIInChI=1S/C20H19N3O4/c1-13-5-4-6-15-19(13)22-12-23(20(15)25)10-18(24)21-9-14-11-26-16-7-2-3-8-17(16)27-14/h2-8,12,14H,9-11H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyDZKGOAUIHOTJSJ-AWEZNQCLSA-N
MW365.39 g/mol
LogP1.66
Rot. Bonds4

About N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 41200792) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID41200792
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NC[C@H]3COc4ccccc4O3)cnc12
InChIInChI=1S/C20H19N3O4/c1-13-5-4-6-15-19(13)22-12-23(20(15)25)10-18(24)21-9-14-11-26-16-7-2-3-8-17(16)27-14/h2-8,12,14H,9-11H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyDZKGOAUIHOTJSJ-AWEZNQCLSA-N
XLogP1.66
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 2603996
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51266892
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29417051
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7545128
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 39724116
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-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide
CID 7023936
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2450411
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 52507049
3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27661543
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propanamide
CID 24622274
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 41200792) is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1cccc2c(=O)n(CC(=O)NC[C@H]3COc4ccccc4O3)cnc12.
What is the InChIKey of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is DZKGOAUIHOTJSJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-5-4-6-15-19(13)22-12-23(20(15)25)10-18(24)21-9-14-11-26-16-7-2-3-8-17(16)27-14/h2-8,12,14H,9-11H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 365.39 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 41200792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).