N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide

C16H13N3O2 — CID 89312883

IUPACN-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide
SMILESO=CNc1cc(OCc2ccncc2)cc2cccnc12
InChIInChI=1S/C16H13N3O2/c20-11-19-15-9-14(8-13-2-1-5-18-16(13)15)21-10-12-3-6-17-7-4-12/h1-9,11H,10H2,(H,19,20)
InChIKeyOOZCBZQWPOBWPR-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.78
Rot. Bonds5

About N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide

N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide (PubChem CID 89312883) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide.

Molecular Properties

Compound NameN-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide
PubChem CID89312883
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide
SMILESO=CNc1cc(OCc2ccncc2)cc2cccnc12
InChIInChI=1S/C16H13N3O2/c20-11-19-15-9-14(8-13-2-1-5-18-16(13)15)21-10-12-3-6-17-7-4-12/h1-9,11H,10H2,(H,19,20)
InChIKeyOOZCBZQWPOBWPR-UHFFFAOYSA-N
XLogP2.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide
CID 143593030
2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide
CID 59028879
N-(6-phenylmethoxyquinolin-8-yl)propanamide
CID 67574564
N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]acetamide
CID 143592971
6-(methylamino)-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]hexanamide
CID 143593150
CID 59694590
CID 59694590
N-(5-methoxyquinolin-8-yl)formamide
CID 886460
1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea
CID 108992618
N-(1-hydroxy-2-oxo-1,8-naphthyridin-3-yl)formamide
CID 174791861
N-(6-methylquinolin-7-yl)formamide
CID 168651780
N-(3-phenylmethoxyphenyl)formamide
CID 87791021
6-methoxy-N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 11708748

Frequently Asked Questions

What is the IUPAC name of N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide?
The IUPAC name of N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide (CID 89312883) is N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide.
What is the SMILES notation for N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide?
The canonical SMILES for N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide is O=CNc1cc(OCc2ccncc2)cc2cccnc12.
What is the InChIKey of N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide?
The InChIKey is OOZCBZQWPOBWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-11-19-15-9-14(8-13-2-1-5-18-16(13)15)21-10-12-3-6-17-7-4-12/h1-9,11H,10H2,(H,19,20).
What are the key properties of N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide?
N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide has a molecular weight of 279.30 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide is sourced from PubChem (CID 89312883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).