tert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate

C18H25N3O3 — CID 57437795

IUPACtert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate
SMILESCOc1cc(NCCCNC(=O)OC(C)(C)C)nc2ccccc12
InChIInChI=1S/C18H25N3O3/c1-18(2,3)24-17(22)20-11-7-10-19-16-12-15(23-4)13-8-5-6-9-14(13)21-16/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyAIZXLBHIGRCHFU-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.57
Rot. Bonds6

About tert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate

tert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate (PubChem CID 57437795) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is tert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate
PubChem CID57437795
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Nametert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate
SMILESCOc1cc(NCCCNC(=O)OC(C)(C)C)nc2ccccc12
InChIInChI=1S/C18H25N3O3/c1-18(2,3)24-17(22)20-11-7-10-19-16-12-15(23-4)13-8-5-6-9-14(13)21-16/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyAIZXLBHIGRCHFU-UHFFFAOYSA-N
XLogP3.57
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate;(4-methoxyquinolin-2-yl) trifluoromethanesulfonate
CID 159685194
tert-butyl N-[4-(acridin-9-ylamino)butyl]carbamate
CID 11291507
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]quinoline-2-carboxylic acid
CID 157399195
tert-butyl N-[3-(2,1-benzothiazol-3-ylamino)propyl]carbamate
CID 115613159
N-(3,4-dichlorophenyl)-N'-(4-methoxyquinolin-2-yl)butane-1,4-diamine
CID 44533524
[3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid
CID 22640731
tert-butyl N-[3-[[4-(benzylamino)quinazolin-2-yl]amino]propyl]carbamate
CID 57162552
tert-butyl N-[3-(1,2,4-benzotriazin-3-ylamino)propyl]carbamate
CID 103204542
tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
CID 114518163
tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate
CID 118669396
tert-butyl N-[3-(1H-benzimidazol-2-ylamino)propyl]carbamate
CID 15425062
tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate
CID 66958404

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate (CID 57437795) is tert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate is COc1cc(NCCCNC(=O)OC(C)(C)C)nc2ccccc12.
What is the InChIKey of tert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate?
The InChIKey is AIZXLBHIGRCHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-18(2,3)24-17(22)20-11-7-10-19-16-12-15(23-4)13-8-5-6-9-14(13)21-16/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of tert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate?
tert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate has a molecular weight of 331.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate is sourced from PubChem (CID 57437795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).