tert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate

C27H39N5O4 — CID 140576929

IUPACtert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate
SMILESCc1cccc2cc([C@H](C)NC(=O)OC(C)(C)C)c(N3CCN(CC(=O)N4CCOCC4)CC3)nc12
InChIInChI=1S/C27H39N5O4/c1-19-7-6-8-21-17-22(20(2)28-26(34)36-27(3,4)5)25(29-24(19)21)32-11-9-30(10-12-32)18-23(33)31-13-15-35-16-14-31/h6-8,17,20H,9-16,18H2,1-5H3,(H,28,34)/t20-/m0/s1
InChIKeyYUCOVSCTBAGLJM-FQEVSTJZSA-N
MW497.64 g/mol
LogP3.11
Rot. Bonds5

About tert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate

tert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate (PubChem CID 140576929) has the molecular formula C27H39N5O4 and a molecular weight of 497.64 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate
PubChem CID140576929
Molecular FormulaC27H39N5O4
Molecular Weight497.64 g/mol
Exact Mass497.30
IUPAC Nametert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate
SMILESCc1cccc2cc([C@H](C)NC(=O)OC(C)(C)C)c(N3CCN(CC(=O)N4CCOCC4)CC3)nc12
InChIInChI=1S/C27H39N5O4/c1-19-7-6-8-21-17-22(20(2)28-26(34)36-27(3,4)5)25(29-24(19)21)32-11-9-30(10-12-32)18-23(33)31-13-15-35-16-14-31/h6-8,17,20H,9-16,18H2,1-5H3,(H,28,34)/t20-/m0/s1
InChIKeyYUCOVSCTBAGLJM-FQEVSTJZSA-N
XLogP3.11
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[(1S)-1-(8-methyl-2-thiomorpholin-4-ylquinolin-3-yl)ethyl]carbamate
CID 140576921
tert-butyl N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]carbamate
CID 87146008
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 1439327
tert-butyl N-[1-[8-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-3-yl]ethyl]carbamate
CID 123560504
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688048
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 51928393
tert-butyl N-[(1S)-1-[8-chloro-2-(2-methoxyethylamino)quinolin-3-yl]ethyl]carbamate
CID 140578708
(2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8774722
2-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 143254060
2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone
CID 21061564
tert-butyl N-[2-[[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxymethyl]-6-morpholin-4-yl-4-pyridinyl]carbamate
CID 177332428

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate (CID 140576929) is tert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate is Cc1cccc2cc([C@H](C)NC(=O)OC(C)(C)C)c(N3CCN(CC(=O)N4CCOCC4)CC3)nc12.
What is the InChIKey of tert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate?
The InChIKey is YUCOVSCTBAGLJM-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H39N5O4/c1-19-7-6-8-21-17-22(20(2)28-26(34)36-27(3,4)5)25(29-24(19)21)32-11-9-30(10-12-32)18-23(33)31-13-15-35-16-14-31/h6-8,17,20H,9-16,18H2,1-5H3,(H,28,34)/t20-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate has a molecular weight of 497.64 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate is sourced from PubChem (CID 140576929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).