N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C19H20Cl2N4O3 — CID 56562611

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)NCCNc3ncc(Cl)cc3Cl)c(=O)[nH]c2C1
InChIInChI=1S/C19H20Cl2N4O3/c1-19(2)7-14-11(15(26)8-19)6-12(18(28)25-14)17(27)23-4-3-22-16-13(21)5-10(20)9-24-16/h5-6,9H,3-4,7-8H2,1-2H3,(H,22,24)(H,23,27)(H,25,28)
InChIKeyVGGIYQNBNOSJLL-UHFFFAOYSA-N
MW423.30 g/mol
LogP3.07
Rot. Bonds5

About N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56562611) has the molecular formula C19H20Cl2N4O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID56562611
Molecular FormulaC19H20Cl2N4O3
Molecular Weight423.30 g/mol
Exact Mass422.09
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)NCCNc3ncc(Cl)cc3Cl)c(=O)[nH]c2C1
InChIInChI=1S/C19H20Cl2N4O3/c1-19(2)7-14-11(15(26)8-19)6-12(18(28)25-14)17(27)23-4-3-22-16-13(21)5-10(20)9-24-16/h5-6,9H,3-4,7-8H2,1-2H3,(H,22,24)(H,23,27)(H,25,28)
InChIKeyVGGIYQNBNOSJLL-UHFFFAOYSA-N
XLogP3.07
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56562611) is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)NCCNc3ncc(Cl)cc3Cl)c(=O)[nH]c2C1.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is VGGIYQNBNOSJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O3/c1-19(2)7-14-11(15(26)8-19)6-12(18(28)25-14)17(27)23-4-3-22-16-13(21)5-10(20)9-24-16/h5-6,9H,3-4,7-8H2,1-2H3,(H,22,24)(H,23,27)(H,25,28).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 423.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56562611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).