N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide

C19H22N4O — CID 112523512

IUPACN-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
SMILESCN1CCCc2cc(NC(=O)c3cncc4c3CCNC4)ccc21
InChIInChI=1S/C19H22N4O/c1-23-8-2-3-13-9-15(4-5-18(13)23)22-19(24)17-12-21-11-14-10-20-7-6-16(14)17/h4-5,9,11-12,20H,2-3,6-8,10H2,1H3,(H,22,24)
InChIKeyGTSLYJNCUQCCHC-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.36
Rot. Bonds2

About N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide

N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide (PubChem CID 112523512) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
PubChem CID112523512
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
SMILESCN1CCCc2cc(NC(=O)c3cncc4c3CCNC4)ccc21
InChIInChI=1S/C19H22N4O/c1-23-8-2-3-13-9-15(4-5-18(13)23)22-19(24)17-12-21-11-14-10-20-7-6-16(14)17/h4-5,9,11-12,20H,2-3,6-8,10H2,1H3,(H,22,24)
InChIKeyGTSLYJNCUQCCHC-UHFFFAOYSA-N
XLogP2.36
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide?
The IUPAC name of N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide (CID 112523512) is N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide is CN1CCCc2cc(NC(=O)c3cncc4c3CCNC4)ccc21.
What is the InChIKey of N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide?
The InChIKey is GTSLYJNCUQCCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-23-8-2-3-13-9-15(4-5-18(13)23)22-19(24)17-12-21-11-14-10-20-7-6-16(14)17/h4-5,9,11-12,20H,2-3,6-8,10H2,1H3,(H,22,24).
What are the key properties of N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide?
N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 112523512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).