CID 164740903

C15H16BN3O — CID 164740903

IUPAC—
SMILES[B]C(=O)N1CCCC(c2ncc3ccccc3n2)CC1
InChIInChI=1S/C15H16BN3O/c16-15(20)19-8-3-5-11(7-9-19)14-17-10-12-4-1-2-6-13(12)18-14/h1-2,4,6,10-11H,3,5,7-9H2
InChIKeyJCDWIFNVPPHCTK-UHFFFAOYSA-N
MW265.12 g/mol
LogP2.49
Rot. Bonds1

About CID 164740903

CID 164740903 (PubChem CID 164740903) has the molecular formula C15H16BN3O and a molecular weight of 265.12 g/mol.

Molecular Properties

Compound NameCID 164740903
PubChem CID164740903
Molecular FormulaC15H16BN3O
Molecular Weight265.12 g/mol
Exact Mass265.14
IUPAC Name—
SMILES[B]C(=O)N1CCCC(c2ncc3ccccc3n2)CC1
InChIInChI=1S/C15H16BN3O/c16-15(20)19-8-3-5-11(7-9-19)14-17-10-12-4-1-2-6-13(12)18-14/h1-2,4,6,10-11H,3,5,7-9H2
InChIKeyJCDWIFNVPPHCTK-UHFFFAOYSA-N
XLogP2.49
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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[(3R)-3-pyrazin-2-ylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 124964601
[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 124942397
[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 70781771
1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide
CID 55718448
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
2-(1,2,3,4,4a,5,6,7-octahydroquinazolin-2-yl)quinazoline
CID 155758959
(3-phenylazepan-1-yl)-quinolin-2-ylmethanone
CID 90608386
2-[5-[(3S)-1-(2-indol-1-ylacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
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5-benzoyl-2-cyclohexylpyrimidine-4-carboxylic acid
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2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639808

Frequently Asked Questions

What is the IUPAC name of CID 164740903?
The IUPAC name of CID 164740903 (CID 164740903) is not available.
What is the SMILES notation for CID 164740903?
The canonical SMILES for CID 164740903 is [B]C(=O)N1CCCC(c2ncc3ccccc3n2)CC1.
What is the InChIKey of CID 164740903?
The InChIKey is JCDWIFNVPPHCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BN3O/c16-15(20)19-8-3-5-11(7-9-19)14-17-10-12-4-1-2-6-13(12)18-14/h1-2,4,6,10-11H,3,5,7-9H2.
What are the key properties of CID 164740903?
CID 164740903 has a molecular weight of 265.12 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164740903 is sourced from PubChem (CID 164740903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).