methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-4,6-difluorophenyl]carbamate

C28H24F4N4O2 — CID 134168299

IUPACmethyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-4,6-difluorophenyl]carbamate
SMILESCOC(=O)Nc1c(F)cc(F)cc1-c1ccc2ncc(-c3cc(F)cc(F)c3)c(N3CCC(N)CC3)c2c1
InChIInChI=1S/C28H24F4N4O2/c1-38-28(37)35-26-21(12-19(31)13-24(26)32)15-2-3-25-22(10-15)27(36-6-4-20(33)5-7-36)23(14-34-25)16-8-17(29)11-18(30)9-16/h2-3,8-14,20H,4-7,33H2,1H3,(H,35,37)
InChIKeyPRSNYHONPORVAA-UHFFFAOYSA-N
MW524.52 g/mol
LogP6.23
Rot. Bonds4

About methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-4,6-difluorophenyl]carbamate

methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-4,6-difluorophenyl]carbamate (PubChem CID 134168299) has the molecular formula C28H24F4N4O2 and a molecular weight of 524.52 g/mol. Its IUPAC name is methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-4,6-difluorophenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-4,6-difluorophenyl]carbamate
PubChem CID134168299
Molecular FormulaC28H24F4N4O2
Molecular Weight524.52 g/mol
Exact Mass524.18
IUPAC Namemethyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-4,6-difluorophenyl]carbamate
SMILESCOC(=O)Nc1c(F)cc(F)cc1-c1ccc2ncc(-c3cc(F)cc(F)c3)c(N3CCC(N)CC3)c2c1
InChIInChI=1S/C28H24F4N4O2/c1-38-28(37)35-26-21(12-19(31)13-24(26)32)15-2-3-25-22(10-15)27(36-6-4-20(33)5-7-36)23(14-34-25)16-8-17(29)11-18(30)9-16/h2-3,8-14,20H,4-7,33H2,1H3,(H,35,37)
InChIKeyPRSNYHONPORVAA-UHFFFAOYSA-N
XLogP6.23
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.52
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-4,6-difluorophenyl]carbamate 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

ucl-1848 trifluoroacetate salt
CID 10372090
QL-Xii-03
CID 73776206
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine
CID 3264448
N-(1-ethyl-4-piperidinyl)benzo[g]quinolin-4-amine
CID 9926533
(R)-N-(6-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)quinolin-7-yl)acetamide
CID 10072252
N-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11271956
6-(4-fluorophenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)quinolin-4-amine
CID 11517184
n-(4-(4-Methylpiperazin-1-yl)phenyl)-6-p-tolylquinolin-4-amine
CID 11718461
1-[4-(4-Methylpiperazin-1-yl)quinolin-6-yl]-3-(4-phenylphenyl)urea
CID 44533443
1-(4-fluoro-3-methylphenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51350809
1-(3,4-difluorophenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51351034
1-(4-fluoro-2-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51351157

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-4,6-difluorophenyl]carbamate?
The IUPAC name of methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-4,6-difluorophenyl]carbamate (CID 134168299) is methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-4,6-difluorophenyl]carbamate.
What is the SMILES notation for methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-4,6-difluorophenyl]carbamate?
The canonical SMILES for methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-4,6-difluorophenyl]carbamate is COC(=O)Nc1c(F)cc(F)cc1-c1ccc2ncc(-c3cc(F)cc(F)c3)c(N3CCC(N)CC3)c2c1.
What is the InChIKey of methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-4,6-difluorophenyl]carbamate?
The InChIKey is PRSNYHONPORVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F4N4O2/c1-38-28(37)35-26-21(12-19(31)13-24(26)32)15-2-3-25-22(10-15)27(36-6-4-20(33)5-7-36)23(14-34-25)16-8-17(29)11-18(30)9-16/h2-3,8-14,20H,4-7,33H2,1H3,(H,35,37).
What are the key properties of methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-4,6-difluorophenyl]carbamate?
methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-4,6-difluorophenyl]carbamate has a molecular weight of 524.52 g/mol, XLogP of 6.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-4,6-difluorophenyl]carbamate is sourced from PubChem (CID 134168299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).