1-(2-chloroprop-2-enyl)-3-[[[(2R)-2,3-dihydroxypropyl]amino]methyl]-6,7-dimethoxyquinolin-2-one

C18H23ClN2O5 — CID 26346464

IUPAC1-(2-chloroprop-2-enyl)-3-[[[(2R)-2,3-dihydroxypropyl]amino]methyl]-6,7-dimethoxyquinolin-2-one
SMILESC=C(Cl)Cn1c(=O)c(CNC[C@@H](O)CO)cc2cc(OC)c(OC)cc21
InChIInChI=1S/C18H23ClN2O5/c1-11(19)9-21-15-6-17(26-3)16(25-2)5-12(15)4-13(18(21)24)7-20-8-14(23)10-22/h4-6,14,20,22-23H,1,7-10H2,2-3H3/t14-/m1/s1
InChIKeyHOQVLMQHUNBIRK-CQSZACIVSA-N
MW382.84 g/mol
LogP1.21
Rot. Bonds9

About 1-(2-chloroprop-2-enyl)-3-[[[(2R)-2,3-dihydroxypropyl]amino]methyl]-6,7-dimethoxyquinolin-2-one

1-(2-chloroprop-2-enyl)-3-[[[(2R)-2,3-dihydroxypropyl]amino]methyl]-6,7-dimethoxyquinolin-2-one (PubChem CID 26346464) has the molecular formula C18H23ClN2O5 and a molecular weight of 382.84 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-3-[[[(2R)-2,3-dihydroxypropyl]amino]methyl]-6,7-dimethoxyquinolin-2-one.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-3-[[[(2R)-2,3-dihydroxypropyl]amino]methyl]-6,7-dimethoxyquinolin-2-one
PubChem CID26346464
Molecular FormulaC18H23ClN2O5
Molecular Weight382.84 g/mol
Exact Mass382.13
IUPAC Name1-(2-chloroprop-2-enyl)-3-[[[(2R)-2,3-dihydroxypropyl]amino]methyl]-6,7-dimethoxyquinolin-2-one
SMILESC=C(Cl)Cn1c(=O)c(CNC[C@@H](O)CO)cc2cc(OC)c(OC)cc21
InChIInChI=1S/C18H23ClN2O5/c1-11(19)9-21-15-6-17(26-3)16(25-2)5-12(15)4-13(18(21)24)7-20-8-14(23)10-22/h4-6,14,20,22-23H,1,7-10H2,2-3H3/t14-/m1/s1
InChIKeyHOQVLMQHUNBIRK-CQSZACIVSA-N
XLogP1.21
TPSA92.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-3-[[[(2R)-2,3-dihydroxypropyl]amino]methyl]-6,7-dimethoxyquinolin-2-one?
The IUPAC name of 1-(2-chloroprop-2-enyl)-3-[[[(2R)-2,3-dihydroxypropyl]amino]methyl]-6,7-dimethoxyquinolin-2-one (CID 26346464) is 1-(2-chloroprop-2-enyl)-3-[[[(2R)-2,3-dihydroxypropyl]amino]methyl]-6,7-dimethoxyquinolin-2-one.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-3-[[[(2R)-2,3-dihydroxypropyl]amino]methyl]-6,7-dimethoxyquinolin-2-one?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-3-[[[(2R)-2,3-dihydroxypropyl]amino]methyl]-6,7-dimethoxyquinolin-2-one is C=C(Cl)Cn1c(=O)c(CNC[C@@H](O)CO)cc2cc(OC)c(OC)cc21.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-3-[[[(2R)-2,3-dihydroxypropyl]amino]methyl]-6,7-dimethoxyquinolin-2-one?
The InChIKey is HOQVLMQHUNBIRK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23ClN2O5/c1-11(19)9-21-15-6-17(26-3)16(25-2)5-12(15)4-13(18(21)24)7-20-8-14(23)10-22/h4-6,14,20,22-23H,1,7-10H2,2-3H3/t14-/m1/s1.
What are the key properties of 1-(2-chloroprop-2-enyl)-3-[[[(2R)-2,3-dihydroxypropyl]amino]methyl]-6,7-dimethoxyquinolin-2-one?
1-(2-chloroprop-2-enyl)-3-[[[(2R)-2,3-dihydroxypropyl]amino]methyl]-6,7-dimethoxyquinolin-2-one has a molecular weight of 382.84 g/mol, XLogP of 1.21, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-3-[[[(2R)-2,3-dihydroxypropyl]amino]methyl]-6,7-dimethoxyquinolin-2-one is sourced from PubChem (CID 26346464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).