6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one

C17H16ClN7O3 — CID 122637599

IUPAC6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c([C@H](C)Nc3nc(-n4nnnc4C)co3)cc2cc1Cl
InChIInChI=1S/C17H16ClN7O3/c1-8(19-17-21-15(7-28-17)25-9(2)22-23-24-25)11-4-10-5-12(18)14(27-3)6-13(10)20-16(11)26/h4-8H,1-3H3,(H,19,21)(H,20,26)/t8-/m0/s1
InChIKeySZJLHWFPJAUFND-QMMMGPOBSA-N
MW401.81 g/mol
LogP2.64
Rot. Bonds5

About 6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one

6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one (PubChem CID 122637599) has the molecular formula C17H16ClN7O3 and a molecular weight of 401.81 g/mol. Its IUPAC name is 6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one
PubChem CID122637599
Molecular FormulaC17H16ClN7O3
Molecular Weight401.81 g/mol
Exact Mass401.10
IUPAC Name6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c([C@H](C)Nc3nc(-n4nnnc4C)co3)cc2cc1Cl
InChIInChI=1S/C17H16ClN7O3/c1-8(19-17-21-15(7-28-17)25-9(2)22-23-24-25)11-4-10-5-12(18)14(27-3)6-13(10)20-16(11)26/h4-8H,1-3H3,(H,19,21)(H,20,26)/t8-/m0/s1
InChIKeySZJLHWFPJAUFND-QMMMGPOBSA-N
XLogP2.64
TPSA123.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.81
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one
CID 122637701
6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one
CID 135378403
6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 118953713
6-chloro-3-[(1S)-1-[[5-(5-methyltetrazol-1-yl)-1,3-thiazol-2-yl]amino]ethyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 122637371
N-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide
CID 122637401
CID 154597526
CID 154597526
(4S,5R)-3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-5-methyl-1,3-oxazolidin-2-one
CID 146896400
3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 154975043
(4S)-3-[4-[1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 154960658
2-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-methoxy-1,3-thiazole-5-carbonitrile
CID 122637680
methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate
CID 118955725
6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one
CID 154974602

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one (CID 122637599) is 6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one is COc1cc2[nH]c(=O)c([C@H](C)Nc3nc(-n4nnnc4C)co3)cc2cc1Cl.
What is the InChIKey of 6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one?
The InChIKey is SZJLHWFPJAUFND-QMMMGPOBSA-N. The full InChI is InChI=1S/C17H16ClN7O3/c1-8(19-17-21-15(7-28-17)25-9(2)22-23-24-25)11-4-10-5-12(18)14(27-3)6-13(10)20-16(11)26/h4-8H,1-3H3,(H,19,21)(H,20,26)/t8-/m0/s1.
What are the key properties of 6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one?
6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one has a molecular weight of 401.81 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 122637599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).