N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-chlorophenyl)-1,8-naphthyridin-2-amine

C22H15ClN4O2 — CID 11463797

IUPACN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-chlorophenyl)-1,8-naphthyridin-2-amine
SMILESClc1ccc(-c2cc3cccnc3nc2N/N=C/c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C22H15ClN4O2/c23-17-6-4-15(5-7-17)18-11-16-2-1-9-24-21(16)26-22(18)27-25-12-14-3-8-19-20(10-14)29-13-28-19/h1-12H,13H2,(H,24,26,27)/b25-12+
InChIKeySAZMRJJGJLDBQV-BRJLIKDPSA-N
MW402.84 g/mol
LogP5.12
Rot. Bonds4

About N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-chlorophenyl)-1,8-naphthyridin-2-amine

N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-chlorophenyl)-1,8-naphthyridin-2-amine (PubChem CID 11463797) has the molecular formula C22H15ClN4O2 and a molecular weight of 402.84 g/mol. Its IUPAC name is N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-chlorophenyl)-1,8-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-chlorophenyl)-1,8-naphthyridin-2-amine
PubChem CID11463797
Molecular FormulaC22H15ClN4O2
Molecular Weight402.84 g/mol
Exact Mass402.09
IUPAC NameN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-chlorophenyl)-1,8-naphthyridin-2-amine
SMILESClc1ccc(-c2cc3cccnc3nc2N/N=C/c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C22H15ClN4O2/c23-17-6-4-15(5-7-17)18-11-16-2-1-9-24-21(16)26-22(18)27-25-12-14-3-8-19-20(10-14)29-13-28-19/h1-12H,13H2,(H,24,26,27)/b25-12+
InChIKeySAZMRJJGJLDBQV-BRJLIKDPSA-N
XLogP5.12
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.84
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine
CID 10960641
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine
CID 10982194
N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine
CID 70582954
N-(1,3-benzodioxol-5-ylmethylideneamino)-4-chlorobenzenesulfonamide
CID 696656
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide
CID 5404525
1-(1,3-benzodioxol-5-yl)-N-(5-chloro-2-pyridinyl)methanimine
CID 6611674
N-[(4-chlorophenyl)methylideneamino]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-amine
CID 2746853
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410125
N-[2-[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 5187406
2-N,4-N-bis[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 169448282
2-[[3-(4-chlorophenyl)-1,8-naphthyridin-2-yl]amino]-3-phenylpropanoic acid
CID 11729142
2-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-N-benzyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 56691085

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-chlorophenyl)-1,8-naphthyridin-2-amine?
The IUPAC name of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-chlorophenyl)-1,8-naphthyridin-2-amine (CID 11463797) is N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-chlorophenyl)-1,8-naphthyridin-2-amine.
What is the SMILES notation for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-chlorophenyl)-1,8-naphthyridin-2-amine?
The canonical SMILES for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-chlorophenyl)-1,8-naphthyridin-2-amine is Clc1ccc(-c2cc3cccnc3nc2N/N=C/c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-chlorophenyl)-1,8-naphthyridin-2-amine?
The InChIKey is SAZMRJJGJLDBQV-BRJLIKDPSA-N. The full InChI is InChI=1S/C22H15ClN4O2/c23-17-6-4-15(5-7-17)18-11-16-2-1-9-24-21(16)26-22(18)27-25-12-14-3-8-19-20(10-14)29-13-28-19/h1-12H,13H2,(H,24,26,27)/b25-12+.
What are the key properties of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-chlorophenyl)-1,8-naphthyridin-2-amine?
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-chlorophenyl)-1,8-naphthyridin-2-amine has a molecular weight of 402.84 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-chlorophenyl)-1,8-naphthyridin-2-amine is sourced from PubChem (CID 11463797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).