N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide

C16H19N3O4 — CID 110164098

IUPACN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)N[C@@H]1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H19N3O4/c20-13-7-3-6-12(15(13)22)18-14(21)8-19-9-17-11-5-2-1-4-10(11)16(19)23/h1-2,4-5,9,12-13,15,20,22H,3,6-8H2,(H,18,21)/t12-,13-,15-/m1/s1
InChIKeySMFREDQYMXEDCD-UMVBOHGHSA-N
MW317.34 g/mol
LogP-0.21
Rot. Bonds3

About N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 110164098) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID110164098
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)N[C@@H]1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H19N3O4/c20-13-7-3-6-12(15(13)22)18-14(21)8-19-9-17-11-5-2-1-4-10(11)16(19)23/h1-2,4-5,9,12-13,15,20,22H,3,6-8H2,(H,18,21)/t12-,13-,15-/m1/s1
InChIKeySMFREDQYMXEDCD-UMVBOHGHSA-N
XLogP-0.21
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 155990175
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51273612
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 51280662
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 46792790
2-[(3R,4S)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]oxan-4-yl]oxyacetic acid
CID 91768835
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 52898613
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 104927943
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 18115170

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 110164098) is N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)N[C@@H]1CCC[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is SMFREDQYMXEDCD-UMVBOHGHSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-13-7-3-6-12(15(13)22)18-14(21)8-19-9-17-11-5-2-1-4-10(11)16(19)23/h1-2,4-5,9,12-13,15,20,22H,3,6-8H2,(H,18,21)/t12-,13-,15-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 317.34 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 110164098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).