(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone

C16H17N3O — CID 106753653

IUPAC(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)N2CC(N)Cc3ccccc32)ccn1
InChIInChI=1S/C16H17N3O/c1-11-8-13(6-7-18-11)16(20)19-10-14(17)9-12-4-2-3-5-15(12)19/h2-8,14H,9-10,17H2,1H3
InChIKeyJCFSOXHYOCBXGX-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.92
Rot. Bonds1

About (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone

(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone (PubChem CID 106753653) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone
PubChem CID106753653
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)N2CC(N)Cc3ccccc32)ccn1
InChIInChI=1S/C16H17N3O/c1-11-8-13(6-7-18-11)16(20)19-10-14(17)9-12-4-2-3-5-15(12)19/h2-8,14H,9-10,17H2,1H3
InChIKeyJCFSOXHYOCBXGX-UHFFFAOYSA-N
XLogP1.92
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107672090
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821989
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone
CID 107520064
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone
CID 106862190
3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 104772854
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 139444477
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 167937529
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone
CID 106855124
4-(2-methylpyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106753524
1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone
CID 103514183
1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one
CID 103021502

Frequently Asked Questions

What is the IUPAC name of (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone?
The IUPAC name of (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone (CID 106753653) is (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone.
What is the SMILES notation for (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone?
The canonical SMILES for (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone is Cc1cc(C(=O)N2CC(N)Cc3ccccc32)ccn1.
What is the InChIKey of (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone?
The InChIKey is JCFSOXHYOCBXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-8-13(6-7-18-11)16(20)19-10-14(17)9-12-4-2-3-5-15(12)19/h2-8,14H,9-10,17H2,1H3.
What are the key properties of (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone?
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone has a molecular weight of 267.33 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 106753653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).