2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C24H21N5O2 — CID 144516316

IUPAC2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILES[H]/N=C/c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1CN
InChIInChI=1S/C24H21N5O2/c25-12-16-6-5-15(9-18(16)13-26)17-10-21-19(3-1-7-28-21)23(11-17)31-14-22-20(24(27)30)4-2-8-29-22/h1-12,25H,13-14,26H2,(H2,27,30)/b25-12+
InChIKeyPOJMOJICQIWHRM-BRJLIKDPSA-N
MW411.47 g/mol
LogP3.43
Rot. Bonds7

About 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 144516316) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID144516316
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILES[H]/N=C/c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1CN
InChIInChI=1S/C24H21N5O2/c25-12-16-6-5-15(9-18(16)13-26)17-10-21-19(3-1-7-28-21)23(11-17)31-14-22-20(24(27)30)4-2-8-29-22/h1-12,25H,13-14,26H2,(H2,27,30)/b25-12+
InChIKeyPOJMOJICQIWHRM-BRJLIKDPSA-N
XLogP3.43
TPSA127.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 144516316) is 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is [H]/N=C/c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1CN.
What is the InChIKey of 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is POJMOJICQIWHRM-BRJLIKDPSA-N. The full InChI is InChI=1S/C24H21N5O2/c25-12-16-6-5-15(9-18(16)13-26)17-10-21-19(3-1-7-28-21)23(11-17)31-14-22-20(24(27)30)4-2-8-29-22/h1-12,25H,13-14,26H2,(H2,27,30)/b25-12+.
What are the key properties of 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 144516316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).