tert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate

C21H29N3O3 — CID 86608909

IUPACtert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate
SMILESCOc1ccc2nc(N[C@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)cc(C)c2c1
InChIInChI=1S/C21H29N3O3/c1-13-10-19(24-18-9-8-16(26-5)12-17(13)18)22-14-6-7-15(11-14)23-20(25)27-21(2,3)4/h8-10,12,14-15H,6-7,11H2,1-5H3,(H,22,24)(H,23,25)/t14-,15-/m0/s1
InChIKeyFOYRPWFVVZDTCM-GJZGRUSLSA-N
MW371.48 g/mol
LogP4.41
Rot. Bonds4

About tert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate

tert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate (PubChem CID 86608909) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is tert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate
PubChem CID86608909
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Nametert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate
SMILESCOc1ccc2nc(N[C@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)cc(C)c2c1
InChIInChI=1S/C21H29N3O3/c1-13-10-19(24-18-9-8-16(26-5)12-17(13)18)22-14-6-7-15(11-14)23-20(25)27-21(2,3)4/h8-10,12,14-15H,6-7,11H2,1-5H3,(H,22,24)(H,23,25)/t14-,15-/m0/s1
InChIKeyFOYRPWFVVZDTCM-GJZGRUSLSA-N
XLogP4.41
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-4-methyl-N-pyrrolidin-3-ylquinolin-2-amine
CID 67443498
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 22182075
1-N-(6-methoxy-4-methylquinolin-2-yl)-3-N-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine
CID 10068425
tert-butyl N-[(1S,3S)-3-[(6-hydroxy-1,3-benzoxazol-2-yl)amino]cyclopentyl]carbamate
CID 171767393
tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate
CID 79461940
tert-butyl N-[(1S,3S)-3-[[3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indazole-5-carbonyl]amino]cyclopentyl]carbamate
CID 172633319
tert-butyl N-[(1S,3R)-3-[[6-(3-chloro-2-methoxy-4-pyridinyl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate
CID 164734339
tert-butyl N-[(1R,2S)-2-[[2-(ethoxycarbonylamino)-6-methoxyquinazolin-4-yl]amino]cyclohexyl]carbamate
CID 69021905
tert-butyl N-[(1R,2S)-2-[[6-methoxy-2-[(4-methoxyphenyl)methylamino]quinazolin-4-yl]amino]cyclohexyl]carbamate
CID 69022148
tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate
CID 68631993
tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate
CID 103719625
tert-butyl N-[3-(3-chloro-4-methylanilino)cyclohexyl]carbamate
CID 103719979

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate (CID 86608909) is tert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate is COc1ccc2nc(N[C@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)cc(C)c2c1.
What is the InChIKey of tert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate?
The InChIKey is FOYRPWFVVZDTCM-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-13-10-19(24-18-9-8-16(26-5)12-17(13)18)22-14-6-7-15(11-14)23-20(25)27-21(2,3)4/h8-10,12,14-15H,6-7,11H2,1-5H3,(H,22,24)(H,23,25)/t14-,15-/m0/s1.
What are the key properties of tert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate?
tert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate has a molecular weight of 371.48 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 86608909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).