CID 164840749

C10H9BN2O2 — CID 164840749

IUPAC—
SMILES[B]n1c([C@H](C)O)nc2ccccc2c1=O
InChIInChI=1S/C10H9BN2O2/c1-6(14)9-12-8-5-3-2-4-7(8)10(15)13(9)11/h2-6,14H,1H3/t6-/m0/s1
InChIKeyIFGDPNZBLDOHIN-LURJTMIESA-N
MW200.01 g/mol
LogP0.38
Rot. Bonds1

About CID 164840749

CID 164840749 (PubChem CID 164840749) has the molecular formula C10H9BN2O2 and a molecular weight of 200.01 g/mol.

Molecular Properties

Compound NameCID 164840749
PubChem CID164840749
Molecular FormulaC10H9BN2O2
Molecular Weight200.01 g/mol
Exact Mass200.08
IUPAC Name—
SMILES[B]n1c([C@H](C)O)nc2ccccc2c1=O
InChIInChI=1S/C10H9BN2O2/c1-6(14)9-12-8-5-3-2-4-7(8)10(15)13(9)11/h2-6,14H,1H3/t6-/m0/s1
InChIKeyIFGDPNZBLDOHIN-LURJTMIESA-N
XLogP0.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.01
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide
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methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate
CID 23255846
3-amino-2-(dichloromethyl)quinazolin-4-one
CID 86167528
3-[(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-2-[(1S)-1-hydroxyethyl]quinazolin-4-one
CID 56641686
3-(dimethylamino)-2-(1-hydroxy-2,2-dimethylpropyl)quinazolin-4-one
CID 101016156
(1S)-1-(1-aminobenzimidazol-2-yl)ethanol
CID 6543863
2-(1-chloroethyl)-3-(2,3,3-trimethylbutyl)quinazolin-4-one
CID 83145007
tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate
CID 165085489
[(1S)-1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-methylazanium
CID 6941009
1-(1-hydroxybenzimidazol-2-yl)ethanol
CID 83387830
3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one
CID 1462732

Frequently Asked Questions

What is the IUPAC name of CID 164840749?
The IUPAC name of CID 164840749 (CID 164840749) is not available.
What is the SMILES notation for CID 164840749?
The canonical SMILES for CID 164840749 is [B]n1c([C@H](C)O)nc2ccccc2c1=O.
What is the InChIKey of CID 164840749?
The InChIKey is IFGDPNZBLDOHIN-LURJTMIESA-N. The full InChI is InChI=1S/C10H9BN2O2/c1-6(14)9-12-8-5-3-2-4-7(8)10(15)13(9)11/h2-6,14H,1H3/t6-/m0/s1.
What are the key properties of CID 164840749?
CID 164840749 has a molecular weight of 200.01 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164840749 is sourced from PubChem (CID 164840749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).