methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate

C17H15N3O2 — CID 112989327

IUPACmethyl N-[4-(quinolin-8-ylamino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2cccc3cccnc23)cc1
InChIInChI=1S/C17H15N3O2/c1-22-17(21)20-14-9-7-13(8-10-14)19-15-6-2-4-12-5-3-11-18-16(12)15/h2-11,19H,1H3,(H,20,21)
InChIKeyGNYDCBUEZSOGAG-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.16
Rot. Bonds3

About methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate

methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate (PubChem CID 112989327) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(quinolin-8-ylamino)phenyl]carbamate
PubChem CID112989327
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Namemethyl N-[4-(quinolin-8-ylamino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2cccc3cccnc23)cc1
InChIInChI=1S/C17H15N3O2/c1-22-17(21)20-14-9-7-13(8-10-14)19-15-6-2-4-12-5-3-11-18-16(12)15/h2-11,19H,1H3,(H,20,21)
InChIKeyGNYDCBUEZSOGAG-UHFFFAOYSA-N
XLogP4.16
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide
CID 112989310
3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide
CID 112989286
N-[4-(quinolin-8-ylamino)phenyl]pyridine-3-carboxamide
CID 112989314
methyl N-benzo[h]quinolin-9-ylcarbamate
CID 102128931
N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866755
N-[4-(quinolin-8-ylamino)phenyl]furan-2-carboxamide
CID 112989291
ethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate
CID 113036336
methyl 4-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956372
N-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109200554
5-(2-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109199751
4-(4-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109221716
1-[2-amino-4-(quinolin-8-ylamino)phenyl]ethanone
CID 104528278

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate?
The IUPAC name of methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate (CID 112989327) is methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate is COC(=O)Nc1ccc(Nc2cccc3cccnc23)cc1.
What is the InChIKey of methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate?
The InChIKey is GNYDCBUEZSOGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-17(21)20-14-9-7-13(8-10-14)19-15-6-2-4-12-5-3-11-18-16(12)15/h2-11,19H,1H3,(H,20,21).
What are the key properties of methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate?
methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate has a molecular weight of 293.33 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate is sourced from PubChem (CID 112989327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).