6-tert-butyl-3-(cyclopropylmethoxy)-2,10-dioxo-5,6-dihydro-1H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid

C21H24N2O5 — CID 138524026

IUPAC6-tert-butyl-3-(cyclopropylmethoxy)-2,10-dioxo-5,6-dihydro-1H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
SMILESCC(C)(C)C1Cc2cc(OCC3CC3)c(=O)[nH]c2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C21H24N2O5/c1-21(2,3)17-7-12-6-16(28-10-11-4-5-11)19(25)22-18(12)14-8-15(24)13(20(26)27)9-23(14)17/h6,8-9,11,17H,4-5,7,10H2,1-3H3,(H,22,25)(H,26,27)
InChIKeyJNUREGQDAYESLH-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.83
Rot. Bonds4

About 6-tert-butyl-3-(cyclopropylmethoxy)-2,10-dioxo-5,6-dihydro-1H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid

6-tert-butyl-3-(cyclopropylmethoxy)-2,10-dioxo-5,6-dihydro-1H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid (PubChem CID 138524026) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 6-tert-butyl-3-(cyclopropylmethoxy)-2,10-dioxo-5,6-dihydro-1H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid.

Molecular Properties

Compound Name6-tert-butyl-3-(cyclopropylmethoxy)-2,10-dioxo-5,6-dihydro-1H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
PubChem CID138524026
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name6-tert-butyl-3-(cyclopropylmethoxy)-2,10-dioxo-5,6-dihydro-1H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
SMILESCC(C)(C)C1Cc2cc(OCC3CC3)c(=O)[nH]c2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C21H24N2O5/c1-21(2,3)17-7-12-6-16(28-10-11-4-5-11)19(25)22-18(12)14-8-15(24)13(20(26)27)9-23(14)17/h6,8-9,11,17H,4-5,7,10H2,1-3H3,(H,22,25)(H,26,27)
InChIKeyJNUREGQDAYESLH-UHFFFAOYSA-N
XLogP2.83
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(cyclopropylmethoxy)-2,10-dioxo-5,6-dihydro-1H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The IUPAC name of 6-tert-butyl-3-(cyclopropylmethoxy)-2,10-dioxo-5,6-dihydro-1H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid (CID 138524026) is 6-tert-butyl-3-(cyclopropylmethoxy)-2,10-dioxo-5,6-dihydro-1H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid.
What is the SMILES notation for 6-tert-butyl-3-(cyclopropylmethoxy)-2,10-dioxo-5,6-dihydro-1H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The canonical SMILES for 6-tert-butyl-3-(cyclopropylmethoxy)-2,10-dioxo-5,6-dihydro-1H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid is CC(C)(C)C1Cc2cc(OCC3CC3)c(=O)[nH]c2-c2cc(=O)c(C(=O)O)cn21.
What is the InChIKey of 6-tert-butyl-3-(cyclopropylmethoxy)-2,10-dioxo-5,6-dihydro-1H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The InChIKey is JNUREGQDAYESLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-21(2,3)17-7-12-6-16(28-10-11-4-5-11)19(25)22-18(12)14-8-15(24)13(20(26)27)9-23(14)17/h6,8-9,11,17H,4-5,7,10H2,1-3H3,(H,22,25)(H,26,27).
What are the key properties of 6-tert-butyl-3-(cyclopropylmethoxy)-2,10-dioxo-5,6-dihydro-1H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
6-tert-butyl-3-(cyclopropylmethoxy)-2,10-dioxo-5,6-dihydro-1H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid has a molecular weight of 384.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(cyclopropylmethoxy)-2,10-dioxo-5,6-dihydro-1H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid is sourced from PubChem (CID 138524026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).