8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one

C18H21N3O2 — CID 134520680

IUPAC8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one
SMILESCC(C)C[C@H](N)COc1ccc2c(c1)c(=O)[nH]c1cnccc12
InChIInChI=1S/C18H21N3O2/c1-11(2)7-12(19)10-23-13-3-4-14-15-5-6-20-9-17(15)21-18(22)16(14)8-13/h3-6,8-9,11-12H,7,10,19H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyTUQJNPCJUJKIBV-LBPRGKRZSA-N
MW311.38 g/mol
LogP2.83
Rot. Bonds5

About 8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one

8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one (PubChem CID 134520680) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one.

Molecular Properties

Compound Name8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one
PubChem CID134520680
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one
SMILESCC(C)C[C@H](N)COc1ccc2c(c1)c(=O)[nH]c1cnccc12
InChIInChI=1S/C18H21N3O2/c1-11(2)7-12(19)10-23-13-3-4-14-15-5-6-20-9-17(15)21-18(22)16(14)8-13/h3-6,8-9,11-12H,7,10,19H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyTUQJNPCJUJKIBV-LBPRGKRZSA-N
XLogP2.83
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one
CID 134520695
8-[(2S)-2-amino-4-methylpentoxy]chromeno[3,4-c]pyridin-5-one;methyl 4-chloropyridine-3-carboxylate
CID 159359387
8-chloro-5H-benzo[c][1,7]naphthyridin-6-one
CID 134324107
8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
CID 73213798
8-[(2S)-2-amino-4-methylpentoxy]-4-(difluoromethyl)-6-methylbenzo[c][2,7]naphthyridin-5-one;8-[(2S)-2-amino-4-methylpentoxy]-9-(4-fluorophenyl)-6-methylbenzo[c][2,7]naphthyridin-5-one
CID 159544300
(2S)-4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine
CID 71726646
4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine
CID 78160429
3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one
CID 57439762
7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole
CID 135314461
8-(dihydroxymethyl)-6H-benzo[c][2,7]naphthyridin-5-one
CID 134331302
tert-butyl N-[(2S)-4-methyl-1-(5-oxo-6-propan-2-ylbenzo[c][2,7]naphthyridin-8-yl)oxypentan-2-yl]carbamate
CID 86710313
(2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine
CID 71726889

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one?
The IUPAC name of 8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one (CID 134520680) is 8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one.
What is the SMILES notation for 8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one?
The canonical SMILES for 8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one is CC(C)C[C@H](N)COc1ccc2c(c1)c(=O)[nH]c1cnccc12.
What is the InChIKey of 8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one?
The InChIKey is TUQJNPCJUJKIBV-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11(2)7-12(19)10-23-13-3-4-14-15-5-6-20-9-17(15)21-18(22)16(14)8-13/h3-6,8-9,11-12H,7,10,19H2,1-2H3,(H,21,22)/t12-/m0/s1.
What are the key properties of 8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one?
8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one has a molecular weight of 311.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one is sourced from PubChem (CID 134520680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).