5-[(1R)-2-[(2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

C21H23N3O3 — CID 11405892

IUPAC5-[(1R)-2-[(2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
SMILESCc1cc2c(nc1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2
InChIInChI=1S/C21H23N3O3/c1-11-7-13-8-14(9-17(13)23-12(11)2)22-10-19(26)15-3-5-18(25)21-16(15)4-6-20(27)24-21/h3-7,14,19,22,25-26H,8-10H2,1-2H3,(H,24,27)/t14?,19-/m0/s1
InChIKeyJVQWARCNLKQQLT-PKDNWHCCSA-N
MW365.43 g/mol
LogP2.04
Rot. Bonds4

About 5-[(1R)-2-[(2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

5-[(1R)-2-[(2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one (PubChem CID 11405892) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-[(1R)-2-[(2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(1R)-2-[(2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
PubChem CID11405892
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name5-[(1R)-2-[(2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
SMILESCc1cc2c(nc1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2
InChIInChI=1S/C21H23N3O3/c1-11-7-13-8-14(9-17(13)23-12(11)2)22-10-19(26)15-3-5-18(25)21-16(15)4-6-20(27)24-21/h3-7,14,19,22,25-26H,8-10H2,1-2H3,(H,24,27)/t14?,19-/m0/s1
InChIKeyJVQWARCNLKQQLT-PKDNWHCCSA-N
XLogP2.04
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-2-[(2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
The IUPAC name of 5-[(1R)-2-[(2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one (CID 11405892) is 5-[(1R)-2-[(2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 5-[(1R)-2-[(2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 5-[(1R)-2-[(2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one is Cc1cc2c(nc1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2.
What is the InChIKey of 5-[(1R)-2-[(2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
The InChIKey is JVQWARCNLKQQLT-PKDNWHCCSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-11-7-13-8-14(9-17(13)23-12(11)2)22-10-19(26)15-3-5-18(25)21-16(15)4-6-20(27)24-21/h3-7,14,19,22,25-26H,8-10H2,1-2H3,(H,24,27)/t14?,19-/m0/s1.
What are the key properties of 5-[(1R)-2-[(2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
5-[(1R)-2-[(2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one has a molecular weight of 365.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-2-[(2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 11405892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).