4-amino-8-[4-(methoxymethyl)-3-pyridinyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide

C20H22N4O3 — CID 163255287

IUPAC4-amino-8-[4-(methoxymethyl)-3-pyridinyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1c(N)c2cccc(-c3cnccc3COC)c2[nH]c1=O
InChIInChI=1S/C20H22N4O3/c1-3-8-23-19(25)16-17(21)14-6-4-5-13(18(14)24-20(16)26)15-10-22-9-7-12(15)11-27-2/h4-7,9-10H,3,8,11H2,1-2H3,(H,23,25)(H3,21,24,26)
InChIKeyOTLUYJWLMQZYTC-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.46
Rot. Bonds6

About 4-amino-8-[4-(methoxymethyl)-3-pyridinyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide

4-amino-8-[4-(methoxymethyl)-3-pyridinyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide (PubChem CID 163255287) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-amino-8-[4-(methoxymethyl)-3-pyridinyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-[4-(methoxymethyl)-3-pyridinyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide
PubChem CID163255287
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-amino-8-[4-(methoxymethyl)-3-pyridinyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1c(N)c2cccc(-c3cnccc3COC)c2[nH]c1=O
InChIInChI=1S/C20H22N4O3/c1-3-8-23-19(25)16-17(21)14-6-4-5-13(18(14)24-20(16)26)15-10-22-9-7-12(15)11-27-2/h4-7,9-10H,3,8,11H2,1-2H3,(H,23,25)(H3,21,24,26)
InChIKeyOTLUYJWLMQZYTC-UHFFFAOYSA-N
XLogP2.46
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[4-(methoxymethyl)-3-pyridinyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
The IUPAC name of 4-amino-8-[4-(methoxymethyl)-3-pyridinyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide (CID 163255287) is 4-amino-8-[4-(methoxymethyl)-3-pyridinyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-[4-(methoxymethyl)-3-pyridinyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-amino-8-[4-(methoxymethyl)-3-pyridinyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide is CCCNC(=O)c1c(N)c2cccc(-c3cnccc3COC)c2[nH]c1=O.
What is the InChIKey of 4-amino-8-[4-(methoxymethyl)-3-pyridinyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
The InChIKey is OTLUYJWLMQZYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-8-23-19(25)16-17(21)14-6-4-5-13(18(14)24-20(16)26)15-10-22-9-7-12(15)11-27-2/h4-7,9-10H,3,8,11H2,1-2H3,(H,23,25)(H3,21,24,26).
What are the key properties of 4-amino-8-[4-(methoxymethyl)-3-pyridinyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
4-amino-8-[4-(methoxymethyl)-3-pyridinyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[4-(methoxymethyl)-3-pyridinyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 163255287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).