N-[1-(pyridin-3-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

C15H15N3O — CID 77033864

IUPACN-[1-(pyridin-3-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESON=C1CCN(Cc2cccnc2)c2ccccc21
InChIInChI=1S/C15H15N3O/c19-17-14-7-9-18(11-12-4-3-8-16-10-12)15-6-2-1-5-13(14)15/h1-6,8,10,19H,7,9,11H2
InChIKeyKPTWEIHRWZQTRB-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.67
Rot. Bonds2

About N-[1-(pyridin-3-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

N-[1-(pyridin-3-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (PubChem CID 77033864) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[1-(pyridin-3-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(pyridin-3-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
PubChem CID77033864
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-[1-(pyridin-3-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESON=C1CCN(Cc2cccnc2)c2ccccc21
InChIInChI=1S/C15H15N3O/c19-17-14-7-9-18(11-12-4-3-8-16-10-12)15-6-2-1-5-13(14)15/h1-6,8,10,19H,7,9,11H2
InChIKeyKPTWEIHRWZQTRB-UHFFFAOYSA-N
XLogP2.67
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(3,4-dimethylphenyl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033820
(NZ)-N-[1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337229
(NZ)-N-[1-[(3-bromophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337290
N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033810
(NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337181
(4-aminophenyl)-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone
CID 10618387
(3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77115317
2-benzyl-5-pyridin-3-yl-3,4-dihydroisoquinolin-1-one
CID 171354987
4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-amine
CID 67152084
N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77034016
1-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydroquinolin-4-one
CID 113454245
[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone
CID 104670605

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-3-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(pyridin-3-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (CID 77033864) is N-[1-(pyridin-3-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(pyridin-3-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(pyridin-3-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is ON=C1CCN(Cc2cccnc2)c2ccccc21.
What is the InChIKey of N-[1-(pyridin-3-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The InChIKey is KPTWEIHRWZQTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-17-14-7-9-18(11-12-4-3-8-16-10-12)15-6-2-1-5-13(14)15/h1-6,8,10,19H,7,9,11H2.
What are the key properties of N-[1-(pyridin-3-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
N-[1-(pyridin-3-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine has a molecular weight of 253.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-3-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is sourced from PubChem (CID 77033864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).