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

C27H23N3O2 — CID 71626489

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-naphthalen-1-yloxy-3-pyridinyl)methanone
SMILESO=C(c1cnccc1Oc1cccc2ccccc12)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C27H23N3O2/c31-27(30-17-16-29(20-12-13-20)23-9-3-4-10-24(23)30)22-18-28-15-14-26(22)32-25-11-5-7-19-6-1-2-8-21(19)25/h1-11,14-15,18,20H,12-13,16-17H2
InChIKeyGIKLKUKUHWEEDL-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.66
Rot. Bonds4

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

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-naphthalen-1-yloxy-3-pyridinyl)methanone (PubChem CID 71626489) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-naphthalen-1-yloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-naphthalen-1-yloxy-3-pyridinyl)methanone
PubChem CID71626489
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-naphthalen-1-yloxy-3-pyridinyl)methanone
SMILESO=C(c1cnccc1Oc1cccc2ccccc12)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C27H23N3O2/c31-27(30-17-16-29(20-12-13-20)23-9-3-4-10-24(23)30)22-18-28-15-14-26(22)32-25-11-5-7-19-6-1-2-8-21(19)25/h1-11,14-15,18,20H,12-13,16-17H2
InChIKeyGIKLKUKUHWEEDL-UHFFFAOYSA-N
XLogP5.66
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-naphthalen-1-yloxy-3-pyridinyl)methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-naphthalen-1-yloxy-3-pyridinyl)methanone (CID 71626489) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-naphthalen-1-yloxy-3-pyridinyl)methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-naphthalen-1-yloxy-3-pyridinyl)methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-naphthalen-1-yloxy-3-pyridinyl)methanone is O=C(c1cnccc1Oc1cccc2ccccc12)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-naphthalen-1-yloxy-3-pyridinyl)methanone?
The InChIKey is GIKLKUKUHWEEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c31-27(30-17-16-29(20-12-13-20)23-9-3-4-10-24(23)30)22-18-28-15-14-26(22)32-25-11-5-7-19-6-1-2-8-21(19)25/h1-11,14-15,18,20H,12-13,16-17H2.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-naphthalen-1-yloxy-3-pyridinyl)methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-naphthalen-1-yloxy-3-pyridinyl)methanone has a molecular weight of 421.50 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-naphthalen-1-yloxy-3-pyridinyl)methanone is sourced from PubChem (CID 71626489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).