(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone

C19H21FN4O — CID 146090321

IUPAC(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(C3CC3)c3cc(F)ccc32)cn1
InChIInChI=1S/C19H21FN4O/c1-22(2)18-8-3-13(12-21-18)19(25)24-10-9-23(15-5-6-15)17-11-14(20)4-7-16(17)24/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3
InChIKeyFIKZQPROPSNTCD-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.92
Rot. Bonds3

About (4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone

(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone (PubChem CID 146090321) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is (4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone
PubChem CID146090321
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(C3CC3)c3cc(F)ccc32)cn1
InChIInChI=1S/C19H21FN4O/c1-22(2)18-8-3-13(12-21-18)19(25)24-10-9-23(15-5-6-15)17-11-14(20)4-7-16(17)24/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3
InChIKeyFIKZQPROPSNTCD-UHFFFAOYSA-N
XLogP2.92
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone (CID 146090321) is (4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone is CN(C)c1ccc(C(=O)N2CCN(C3CC3)c3cc(F)ccc32)cn1.
What is the InChIKey of (4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone?
The InChIKey is FIKZQPROPSNTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-22(2)18-8-3-13(12-21-18)19(25)24-10-9-23(15-5-6-15)17-11-14(20)4-7-16(17)24/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3.
What are the key properties of (4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone?
(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone has a molecular weight of 340.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 146090321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).