N,N-diethyl-5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridine-2-sulfonamide

C21H25N5O2S — CID 42643598

IUPACN,N-diethyl-5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridine-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C21H25N5O2S/c1-3-25(4-2)29(27,28)26-12-10-19-17(15-26)9-11-22-21(19)24-18-13-16-7-5-6-8-20(16)23-14-18/h5-9,11,13-14H,3-4,10,12,15H2,1-2H3,(H,22,24)
InChIKeyDJSUPRWHPDGARL-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.32
Rot. Bonds6

About N,N-diethyl-5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridine-2-sulfonamide

N,N-diethyl-5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridine-2-sulfonamide (PubChem CID 42643598) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is N,N-diethyl-5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridine-2-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridine-2-sulfonamide
PubChem CID42643598
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC NameN,N-diethyl-5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridine-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C21H25N5O2S/c1-3-25(4-2)29(27,28)26-12-10-19-17(15-26)9-11-22-21(19)24-18-13-16-7-5-6-8-20(16)23-14-18/h5-9,11,13-14H,3-4,10,12,15H2,1-2H3,(H,22,24)
InChIKeyDJSUPRWHPDGARL-UHFFFAOYSA-N
XLogP3.32
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridine-2-sulfonamide?
The IUPAC name of N,N-diethyl-5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridine-2-sulfonamide (CID 42643598) is N,N-diethyl-5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridine-2-sulfonamide.
What is the SMILES notation for N,N-diethyl-5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridine-2-sulfonamide?
The canonical SMILES for N,N-diethyl-5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridine-2-sulfonamide is CCN(CC)S(=O)(=O)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1.
What is the InChIKey of N,N-diethyl-5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridine-2-sulfonamide?
The InChIKey is DJSUPRWHPDGARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-3-25(4-2)29(27,28)26-12-10-19-17(15-26)9-11-22-21(19)24-18-13-16-7-5-6-8-20(16)23-14-18/h5-9,11,13-14H,3-4,10,12,15H2,1-2H3,(H,22,24).
What are the key properties of N,N-diethyl-5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridine-2-sulfonamide?
N,N-diethyl-5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridine-2-sulfonamide has a molecular weight of 411.53 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridine-2-sulfonamide is sourced from PubChem (CID 42643598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).