N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(hydroxymethyl)benzamide

C19H19N3O2 — CID 70965995

IUPACN-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(hydroxymethyl)benzamide
SMILESCc1c(NC(=O)c2ccc(CO)cc2)ccc2cc(CN)cnc12
InChIInChI=1S/C19H19N3O2/c1-12-17(7-6-16-8-14(9-20)10-21-18(12)16)22-19(24)15-4-2-13(11-23)3-5-15/h2-8,10,23H,9,11,20H2,1H3,(H,22,24)
InChIKeyMOWXROHBNRPKKZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.75
Rot. Bonds4

About N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(hydroxymethyl)benzamide

N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(hydroxymethyl)benzamide (PubChem CID 70965995) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(hydroxymethyl)benzamide
PubChem CID70965995
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(hydroxymethyl)benzamide
SMILESCc1c(NC(=O)c2ccc(CO)cc2)ccc2cc(CN)cnc12
InChIInChI=1S/C19H19N3O2/c1-12-17(7-6-16-8-14(9-20)10-21-18(12)16)22-19(24)15-4-2-13(11-23)3-5-15/h2-8,10,23H,9,11,20H2,1H3,(H,22,24)
InChIKeyMOWXROHBNRPKKZ-UHFFFAOYSA-N
XLogP2.75
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(hydroxymethyl)benzamide?
The IUPAC name of N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(hydroxymethyl)benzamide (CID 70965995) is N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(hydroxymethyl)benzamide.
What is the SMILES notation for N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(hydroxymethyl)benzamide?
The canonical SMILES for N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(hydroxymethyl)benzamide is Cc1c(NC(=O)c2ccc(CO)cc2)ccc2cc(CN)cnc12.
What is the InChIKey of N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(hydroxymethyl)benzamide?
The InChIKey is MOWXROHBNRPKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-17(7-6-16-8-14(9-20)10-21-18(12)16)22-19(24)15-4-2-13(11-23)3-5-15/h2-8,10,23H,9,11,20H2,1H3,(H,22,24).
What are the key properties of N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(hydroxymethyl)benzamide?
N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(hydroxymethyl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(hydroxymethyl)benzamide is sourced from PubChem (CID 70965995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).