methyl N-[3-[6-[(R)-amino(methoxy)methyl]quinolin-8-yl]propyl]carbamate

C16H21N3O3 — CID 90065169

IUPACmethyl N-[3-[6-[(R)-amino(methoxy)methyl]quinolin-8-yl]propyl]carbamate
SMILESCOC(=O)NCCCc1cc([C@H](N)OC)cc2cccnc12
InChIInChI=1S/C16H21N3O3/c1-21-15(17)13-9-11-5-3-7-18-14(11)12(10-13)6-4-8-19-16(20)22-2/h3,5,7,9-10,15H,4,6,8,17H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyBWXYEWHPNQPNGV-OAHLLOKOSA-N
MW303.36 g/mol
LogP2.13
Rot. Bonds6

About methyl N-[3-[6-[(R)-amino(methoxy)methyl]quinolin-8-yl]propyl]carbamate

methyl N-[3-[6-[(R)-amino(methoxy)methyl]quinolin-8-yl]propyl]carbamate (PubChem CID 90065169) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl N-[3-[6-[(R)-amino(methoxy)methyl]quinolin-8-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[6-[(R)-amino(methoxy)methyl]quinolin-8-yl]propyl]carbamate
PubChem CID90065169
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Namemethyl N-[3-[6-[(R)-amino(methoxy)methyl]quinolin-8-yl]propyl]carbamate
SMILESCOC(=O)NCCCc1cc([C@H](N)OC)cc2cccnc12
InChIInChI=1S/C16H21N3O3/c1-21-15(17)13-9-11-5-3-7-18-14(11)12(10-13)6-4-8-19-16(20)22-2/h3,5,7,9-10,15H,4,6,8,17H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyBWXYEWHPNQPNGV-OAHLLOKOSA-N
XLogP2.13
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
[8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinolin-6-yl]boronic acid
CID 150878167
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
5-(6-methoxyquinolin-8-yl)pentan-2-amine
CID 71089690
8-(1,10-phenanthrolin-5-yloxy)octyl N-(3-trimethoxysilylpropyl)carbamate
CID 155602694
2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide
CID 81428067
tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate
CID 103390582
8-(1,10-phenanthrolin-5-ylsulfanyl)octyl N-(3-trimethoxysilylpropyl)carbamate
CID 155602685
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
butyl N-[8-(1,10-phenanthrolin-5-ylsulfanyl)octyl]carbamate;molecular hydrogen
CID 142565649

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[6-[(R)-amino(methoxy)methyl]quinolin-8-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[6-[(R)-amino(methoxy)methyl]quinolin-8-yl]propyl]carbamate (CID 90065169) is methyl N-[3-[6-[(R)-amino(methoxy)methyl]quinolin-8-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[6-[(R)-amino(methoxy)methyl]quinolin-8-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[6-[(R)-amino(methoxy)methyl]quinolin-8-yl]propyl]carbamate is COC(=O)NCCCc1cc([C@H](N)OC)cc2cccnc12.
What is the InChIKey of methyl N-[3-[6-[(R)-amino(methoxy)methyl]quinolin-8-yl]propyl]carbamate?
The InChIKey is BWXYEWHPNQPNGV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-21-15(17)13-9-11-5-3-7-18-14(11)12(10-13)6-4-8-19-16(20)22-2/h3,5,7,9-10,15H,4,6,8,17H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of methyl N-[3-[6-[(R)-amino(methoxy)methyl]quinolin-8-yl]propyl]carbamate?
methyl N-[3-[6-[(R)-amino(methoxy)methyl]quinolin-8-yl]propyl]carbamate has a molecular weight of 303.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[6-[(R)-amino(methoxy)methyl]quinolin-8-yl]propyl]carbamate is sourced from PubChem (CID 90065169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).