tert-butyl N-[1-(6-amino-5,6,7,8-tetrahydroquinolin-2-yl)-4-methoxypyrrolidin-3-yl]carbamate

C19H30N4O3 — CID 137480700

IUPACtert-butyl N-[1-(6-amino-5,6,7,8-tetrahydroquinolin-2-yl)-4-methoxypyrrolidin-3-yl]carbamate
SMILESCOC1CN(c2ccc3c(n2)CCC(N)C3)CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H30N4O3/c1-19(2,3)26-18(24)22-15-10-23(11-16(15)25-4)17-8-5-12-9-13(20)6-7-14(12)21-17/h5,8,13,15-16H,6-7,9-11,20H2,1-4H3,(H,22,24)
InChIKeyKJQWNQWSFGWLMG-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.63
Rot. Bonds3

About tert-butyl N-[1-(6-amino-5,6,7,8-tetrahydroquinolin-2-yl)-4-methoxypyrrolidin-3-yl]carbamate

tert-butyl N-[1-(6-amino-5,6,7,8-tetrahydroquinolin-2-yl)-4-methoxypyrrolidin-3-yl]carbamate (PubChem CID 137480700) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl N-[1-(6-amino-5,6,7,8-tetrahydroquinolin-2-yl)-4-methoxypyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-amino-5,6,7,8-tetrahydroquinolin-2-yl)-4-methoxypyrrolidin-3-yl]carbamate
PubChem CID137480700
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Nametert-butyl N-[1-(6-amino-5,6,7,8-tetrahydroquinolin-2-yl)-4-methoxypyrrolidin-3-yl]carbamate
SMILESCOC1CN(c2ccc3c(n2)CCC(N)C3)CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H30N4O3/c1-19(2,3)26-18(24)22-15-10-23(11-16(15)25-4)17-8-5-12-9-13(20)6-7-14(12)21-17/h5,8,13,15-16H,6-7,9-11,20H2,1-4H3,(H,22,24)
InChIKeyKJQWNQWSFGWLMG-UHFFFAOYSA-N
XLogP1.63
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-(6-amino-5,6,7,8-tetrahydroquinolin-2-yl)-4-methoxypyrrolidin-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate
CID 137480641
2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine
CID 146364699
tert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate
CID 46941969
tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate
CID 143194113
3-amino-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 172540274
benzyl N-[(3S,4S)-1-(2-aminopyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]carbamate
CID 178108142
tert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate
CID 58547859
tert-butyl N-[(3S,4S)-1-(5-bromo-2-pyridinyl)-4-(2-oxopiperidin-1-yl)pyrrolidin-3-yl]carbamate
CID 66615423
(3R)-4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 175542895
tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate
CID 168698667
6-amino-N-[2-[3-amino-4-(1-methoxy-2-methylpropan-2-yl)oxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 146348723
3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 166492997

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-amino-5,6,7,8-tetrahydroquinolin-2-yl)-4-methoxypyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-amino-5,6,7,8-tetrahydroquinolin-2-yl)-4-methoxypyrrolidin-3-yl]carbamate (CID 137480700) is tert-butyl N-[1-(6-amino-5,6,7,8-tetrahydroquinolin-2-yl)-4-methoxypyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-amino-5,6,7,8-tetrahydroquinolin-2-yl)-4-methoxypyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-amino-5,6,7,8-tetrahydroquinolin-2-yl)-4-methoxypyrrolidin-3-yl]carbamate is COC1CN(c2ccc3c(n2)CCC(N)C3)CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(6-amino-5,6,7,8-tetrahydroquinolin-2-yl)-4-methoxypyrrolidin-3-yl]carbamate?
The InChIKey is KJQWNQWSFGWLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-19(2,3)26-18(24)22-15-10-23(11-16(15)25-4)17-8-5-12-9-13(20)6-7-14(12)21-17/h5,8,13,15-16H,6-7,9-11,20H2,1-4H3,(H,22,24).
What are the key properties of tert-butyl N-[1-(6-amino-5,6,7,8-tetrahydroquinolin-2-yl)-4-methoxypyrrolidin-3-yl]carbamate?
tert-butyl N-[1-(6-amino-5,6,7,8-tetrahydroquinolin-2-yl)-4-methoxypyrrolidin-3-yl]carbamate has a molecular weight of 362.47 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-amino-5,6,7,8-tetrahydroquinolin-2-yl)-4-methoxypyrrolidin-3-yl]carbamate is sourced from PubChem (CID 137480700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).