(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-quinolin-5-yloxy-3-pyridinyl)methanone

C26H22N4O2 — CID 71626557

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-quinolin-5-yloxy-3-pyridinyl)methanone
SMILESO=C(c1cnccc1Oc1cccc2ncccc12)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C26H22N4O2/c31-26(30-16-15-29(18-10-11-18)22-7-1-2-8-23(22)30)20-17-27-14-12-25(20)32-24-9-3-6-21-19(24)5-4-13-28-21/h1-9,12-14,17-18H,10-11,15-16H2
InChIKeyPROWSSANIATLQT-UHFFFAOYSA-N
MW422.49 g/mol
LogP5.05
Rot. Bonds4

About (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-quinolin-5-yloxy-3-pyridinyl)methanone

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-quinolin-5-yloxy-3-pyridinyl)methanone (PubChem CID 71626557) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-quinolin-5-yloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-quinolin-5-yloxy-3-pyridinyl)methanone
PubChem CID71626557
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-quinolin-5-yloxy-3-pyridinyl)methanone
SMILESO=C(c1cnccc1Oc1cccc2ncccc12)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C26H22N4O2/c31-26(30-16-15-29(18-10-11-18)22-7-1-2-8-23(22)30)20-17-27-14-12-25(20)32-24-9-3-6-21-19(24)5-4-13-28-21/h1-9,12-14,17-18H,10-11,15-16H2
InChIKeyPROWSSANIATLQT-UHFFFAOYSA-N
XLogP5.05
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-quinolin-5-yloxy-3-pyridinyl)methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-quinolin-5-yloxy-3-pyridinyl)methanone (CID 71626557) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-quinolin-5-yloxy-3-pyridinyl)methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-quinolin-5-yloxy-3-pyridinyl)methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-quinolin-5-yloxy-3-pyridinyl)methanone is O=C(c1cnccc1Oc1cccc2ncccc12)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-quinolin-5-yloxy-3-pyridinyl)methanone?
The InChIKey is PROWSSANIATLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c31-26(30-16-15-29(18-10-11-18)22-7-1-2-8-23(22)30)20-17-27-14-12-25(20)32-24-9-3-6-21-19(24)5-4-13-28-21/h1-9,12-14,17-18H,10-11,15-16H2.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-quinolin-5-yloxy-3-pyridinyl)methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-quinolin-5-yloxy-3-pyridinyl)methanone has a molecular weight of 422.49 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-quinolin-5-yloxy-3-pyridinyl)methanone is sourced from PubChem (CID 71626557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).