[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone

C19H22N4O — CID 139005573

IUPAC[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone
SMILESCCc1ncncc1C(=O)N1CCN(CC2CC2)c2ccccc21
InChIInChI=1S/C19H22N4O/c1-2-16-15(11-20-13-21-16)19(24)23-10-9-22(12-14-7-8-14)17-5-3-4-6-18(17)23/h3-6,11,13-14H,2,7-10,12H2,1H3
InChIKeyKQWJVWOSNRDUPT-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.92
Rot. Bonds4

About [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone

[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone (PubChem CID 139005573) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone
PubChem CID139005573
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone
SMILESCCc1ncncc1C(=O)N1CCN(CC2CC2)c2ccccc21
InChIInChI=1S/C19H22N4O/c1-2-16-15(11-20-13-21-16)19(24)23-10-9-22(12-14-7-8-14)17-5-3-4-6-18(17)23/h3-6,11,13-14H,2,7-10,12H2,1H3
InChIKeyKQWJVWOSNRDUPT-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
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-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone?
The IUPAC name of [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone (CID 139005573) is [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone.
What is the SMILES notation for [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone?
The canonical SMILES for [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone is CCc1ncncc1C(=O)N1CCN(CC2CC2)c2ccccc21.
What is the InChIKey of [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone?
The InChIKey is KQWJVWOSNRDUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-16-15(11-20-13-21-16)19(24)23-10-9-22(12-14-7-8-14)17-5-3-4-6-18(17)23/h3-6,11,13-14H,2,7-10,12H2,1H3.
What are the key properties of [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone?
[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone has a molecular weight of 322.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone is sourced from PubChem (CID 139005573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).