ethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate

C17H16N4O2 — CID 113036336

IUPACethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2cccc3cccnc23)cn1
InChIInChI=1S/C17H16N4O2/c1-2-23-17(22)21-15-9-8-13(11-19-15)20-14-7-3-5-12-6-4-10-18-16(12)14/h3-11,20H,2H2,1H3,(H,19,21,22)
InChIKeyLCMNFTLUUMTMBS-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.94
Rot. Bonds4

About ethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate

ethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate (PubChem CID 113036336) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is ethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate
PubChem CID113036336
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Nameethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2cccc3cccnc23)cn1
InChIInChI=1S/C17H16N4O2/c1-2-23-17(22)21-15-9-8-13(11-19-15)20-14-7-3-5-12-6-4-10-18-16(12)14/h3-11,20H,2H2,1H3,(H,19,21,22)
InChIKeyLCMNFTLUUMTMBS-UHFFFAOYSA-N
XLogP3.94
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate
CID 113034834
N-[5-(quinolin-8-ylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036290
N-[6-(quinolin-8-ylamino)-3-pyridinyl]propanamide
CID 113021717
methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate
CID 112989327
3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide
CID 113036320
ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate
CID 113032674
ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate
CID 113036036
N-(2,6-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109198241
ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate
CID 113032953
2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide
CID 113021762
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate
CID 113036803

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate (CID 113036336) is ethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate is CCOC(=O)Nc1ccc(Nc2cccc3cccnc23)cn1.
What is the InChIKey of ethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate?
The InChIKey is LCMNFTLUUMTMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-23-17(22)21-15-9-8-13(11-19-15)20-14-7-3-5-12-6-4-10-18-16(12)14/h3-11,20H,2H2,1H3,(H,19,21,22).
What are the key properties of ethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate?
ethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate has a molecular weight of 308.34 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate is sourced from PubChem (CID 113036336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).