4-amino-N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C21H25N3O2 — CID 155956602

IUPAC4-amino-N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNC1CCC(C(=O)NCc2cc3c([nH]c2=O)CCCC3)c2ccccc21
InChIInChI=1S/C21H25N3O2/c22-18-10-9-17(15-6-2-3-7-16(15)18)21(26)23-12-14-11-13-5-1-4-8-19(13)24-20(14)25/h2-3,6-7,11,17-18H,1,4-5,8-10,12,22H2,(H,23,26)(H,24,25)
InChIKeyZZERVWAQHHWAPO-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.45
Rot. Bonds3

About 4-amino-N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

4-amino-N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 155956602) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-amino-N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID155956602
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-amino-N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNC1CCC(C(=O)NCc2cc3c([nH]c2=O)CCCC3)c2ccccc21
InChIInChI=1S/C21H25N3O2/c22-18-10-9-17(15-6-2-3-7-16(15)18)21(26)23-12-14-11-13-5-1-4-8-19(13)24-20(14)25/h2-3,6-7,11,17-18H,1,4-5,8-10,12,22H2,(H,23,26)(H,24,25)
InChIKeyZZERVWAQHHWAPO-UHFFFAOYSA-N
XLogP2.45
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 4-amino-N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 155956602) is 4-amino-N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 4-amino-N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is NC1CCC(C(=O)NCc2cc3c([nH]c2=O)CCCC3)c2ccccc21.
What is the InChIKey of 4-amino-N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is ZZERVWAQHHWAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c22-18-10-9-17(15-6-2-3-7-16(15)18)21(26)23-12-14-11-13-5-1-4-8-19(13)24-20(14)25/h2-3,6-7,11,17-18H,1,4-5,8-10,12,22H2,(H,23,26)(H,24,25).
What are the key properties of 4-amino-N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
4-amino-N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 155956602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).