1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol

C17H23N3O — CID 62941726

IUPAC1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol
SMILESCC(C)NCc1cc2ccccc2nc1N1CCC(O)C1
InChIInChI=1S/C17H23N3O/c1-12(2)18-10-14-9-13-5-3-4-6-16(13)19-17(14)20-8-7-15(21)11-20/h3-6,9,12,15,18,21H,7-8,10-11H2,1-2H3
InChIKeyRZDHYNJRBWAYAY-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.30
Rot. Bonds4

About 1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol

1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol (PubChem CID 62941726) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol
PubChem CID62941726
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol
SMILESCC(C)NCc1cc2ccccc2nc1N1CCC(O)C1
InChIInChI=1S/C17H23N3O/c1-12(2)18-10-14-9-13-5-3-4-6-16(13)19-17(14)20-8-7-15(21)11-20/h3-6,9,12,15,18,21H,7-8,10-11H2,1-2H3
InChIKeyRZDHYNJRBWAYAY-UHFFFAOYSA-N
XLogP2.30
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol (CID 62941726) is 1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol is CC(C)NCc1cc2ccccc2nc1N1CCC(O)C1.
What is the InChIKey of 1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol?
The InChIKey is RZDHYNJRBWAYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)18-10-14-9-13-5-3-4-6-16(13)19-17(14)20-8-7-15(21)11-20/h3-6,9,12,15,18,21H,7-8,10-11H2,1-2H3.
What are the key properties of 1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol?
1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol has a molecular weight of 285.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 62941726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).