1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol

C16H21N3O2 — CID 133301117

IUPAC1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol
SMILESCc1nc2ccccc2nc1NCC(O)COCC1CC1
InChIInChI=1S/C16H21N3O2/c1-11-16(19-15-5-3-2-4-14(15)18-11)17-8-13(20)10-21-9-12-6-7-12/h2-5,12-13,20H,6-10H2,1H3,(H,17,19)
InChIKeyCBWNVBGSFCEBKR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.14
Rot. Bonds7

About 1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol

1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol (PubChem CID 133301117) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol
PubChem CID133301117
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol
SMILESCc1nc2ccccc2nc1NCC(O)COCC1CC1
InChIInChI=1S/C16H21N3O2/c1-11-16(19-15-5-3-2-4-14(15)18-11)17-8-13(20)10-21-9-12-6-7-12/h2-5,12-13,20H,6-10H2,1H3,(H,17,19)
InChIKeyCBWNVBGSFCEBKR-UHFFFAOYSA-N
XLogP2.14
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol (CID 133301117) is 1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol is Cc1nc2ccccc2nc1NCC(O)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol?
The InChIKey is CBWNVBGSFCEBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-16(19-15-5-3-2-4-14(15)18-11)17-8-13(20)10-21-9-12-6-7-12/h2-5,12-13,20H,6-10H2,1H3,(H,17,19).
What are the key properties of 1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol?
1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol has a molecular weight of 287.36 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 133301117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).