methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate

C20H20ClN3O4 — CID 118955725

IUPACmethyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(N[C@@H](C)c2cc3cc(Cl)c(OC)cc3[nH]c2=O)c1
InChIInChI=1S/C20H20ClN3O4/c1-11(22-13-5-4-6-14(9-13)23-20(26)28-3)15-7-12-8-16(21)18(27-2)10-17(12)24-19(15)25/h4-11,22H,1-3H3,(H,23,26)(H,24,25)/t11-/m0/s1
InChIKeyXHWYRLPSVPUBAM-NSHDSACASA-N
MW401.85 g/mol
LogP4.54
Rot. Bonds5

About methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate

methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate (PubChem CID 118955725) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate
PubChem CID118955725
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Namemethyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(N[C@@H](C)c2cc3cc(Cl)c(OC)cc3[nH]c2=O)c1
InChIInChI=1S/C20H20ClN3O4/c1-11(22-13-5-4-6-14(9-13)23-20(26)28-3)15-7-12-8-16(21)18(27-2)10-17(12)24-19(15)25/h4-11,22H,1-3H3,(H,23,26)(H,24,25)/t11-/m0/s1
InChIKeyXHWYRLPSVPUBAM-NSHDSACASA-N
XLogP4.54
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate with MolForge

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Related Compounds

N-[3-[[(1S)-1-(6-chloro-2-oxo-7-propan-2-yloxy-1H-quinolin-3-yl)ethyl]amino]phenyl]acetamide
CID 118955578
6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one
CID 135378403
[3-[[(1S)-1-(6-chloro-2-oxo-7-propan-2-yloxy-1H-quinolin-3-yl)ethyl]amino]phenyl]-methylcarbamic acid
CID 135377920
3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide
CID 135378436
CID 154597526
CID 154597526
6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one
CID 135378474
2-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-methoxy-1,3-thiazole-5-carbonitrile
CID 122637680
6-chloro-3-[(1S)-1-[3-(4-methylthiophen-3-yl)anilino]ethyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 118955631
6-chloro-7-methoxy-3-[(1S)-1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 118953545
N-[3-[1-(2-methoxyphenyl)ethylamino]phenyl]acetamide
CID 43193717
6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one
CID 134364024
6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 135378370

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate (CID 118955725) is methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate is COC(=O)Nc1cccc(N[C@@H](C)c2cc3cc(Cl)c(OC)cc3[nH]c2=O)c1.
What is the InChIKey of methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate?
The InChIKey is XHWYRLPSVPUBAM-NSHDSACASA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-11(22-13-5-4-6-14(9-13)23-20(26)28-3)15-7-12-8-16(21)18(27-2)10-17(12)24-19(15)25/h4-11,22H,1-3H3,(H,23,26)(H,24,25)/t11-/m0/s1.
What are the key properties of methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate?
methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate has a molecular weight of 401.85 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate is sourced from PubChem (CID 118955725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).