N-[2-[[2-(2,4-dichlorophenyl)-2,3-dihydro-1H-quinazolin-4-ylidene]amino]ethyl]-5-(methylaminomethyl)pyridin-2-amine

C23H24Cl2N6 — CID 142253512

IUPACN-[2-[[2-(2,4-dichlorophenyl)-2,3-dihydro-1H-quinazolin-4-ylidene]amino]ethyl]-5-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1ccc(NCC/N=C2/NC(c3ccc(Cl)cc3Cl)Nc3ccccc32)nc1
InChIInChI=1S/C23H24Cl2N6/c1-26-13-15-6-9-21(29-14-15)27-10-11-28-22-18-4-2-3-5-20(18)30-23(31-22)17-8-7-16(24)12-19(17)25/h2-9,12,14,23,26,30H,10-11,13H2,1H3,(H,27,29)(H,28,31)
InChIKeyJZZFHQUCAMXDGT-UHFFFAOYSA-N
MW455.39 g/mol
LogP4.68
Rot. Bonds7

About N-[2-[[2-(2,4-dichlorophenyl)-2,3-dihydro-1H-quinazolin-4-ylidene]amino]ethyl]-5-(methylaminomethyl)pyridin-2-amine

N-[2-[[2-(2,4-dichlorophenyl)-2,3-dihydro-1H-quinazolin-4-ylidene]amino]ethyl]-5-(methylaminomethyl)pyridin-2-amine (PubChem CID 142253512) has the molecular formula C23H24Cl2N6 and a molecular weight of 455.39 g/mol. Its IUPAC name is N-[2-[[2-(2,4-dichlorophenyl)-2,3-dihydro-1H-quinazolin-4-ylidene]amino]ethyl]-5-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-[[2-(2,4-dichlorophenyl)-2,3-dihydro-1H-quinazolin-4-ylidene]amino]ethyl]-5-(methylaminomethyl)pyridin-2-amine
PubChem CID142253512
Molecular FormulaC23H24Cl2N6
Molecular Weight455.39 g/mol
Exact Mass454.14
IUPAC NameN-[2-[[2-(2,4-dichlorophenyl)-2,3-dihydro-1H-quinazolin-4-ylidene]amino]ethyl]-5-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1ccc(NCC/N=C2/NC(c3ccc(Cl)cc3Cl)Nc3ccccc32)nc1
InChIInChI=1S/C23H24Cl2N6/c1-26-13-15-6-9-21(29-14-15)27-10-11-28-22-18-4-2-3-5-20(18)30-23(31-22)17-8-7-16(24)12-19(17)25/h2-9,12,14,23,26,30H,10-11,13H2,1H3,(H,27,29)(H,28,31)
InChIKeyJZZFHQUCAMXDGT-UHFFFAOYSA-N
XLogP4.68
TPSA73.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.39
LogP ≤ 54.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,4-dichlorophenyl)-2,3-dihydro-1H-quinazolin-4-ylidene]amino]ethyl]-5-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of N-[2-[[2-(2,4-dichlorophenyl)-2,3-dihydro-1H-quinazolin-4-ylidene]amino]ethyl]-5-(methylaminomethyl)pyridin-2-amine (CID 142253512) is N-[2-[[2-(2,4-dichlorophenyl)-2,3-dihydro-1H-quinazolin-4-ylidene]amino]ethyl]-5-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-[[2-(2,4-dichlorophenyl)-2,3-dihydro-1H-quinazolin-4-ylidene]amino]ethyl]-5-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-[2-[[2-(2,4-dichlorophenyl)-2,3-dihydro-1H-quinazolin-4-ylidene]amino]ethyl]-5-(methylaminomethyl)pyridin-2-amine is CNCc1ccc(NCC/N=C2/NC(c3ccc(Cl)cc3Cl)Nc3ccccc32)nc1.
What is the InChIKey of N-[2-[[2-(2,4-dichlorophenyl)-2,3-dihydro-1H-quinazolin-4-ylidene]amino]ethyl]-5-(methylaminomethyl)pyridin-2-amine?
The InChIKey is JZZFHQUCAMXDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N6/c1-26-13-15-6-9-21(29-14-15)27-10-11-28-22-18-4-2-3-5-20(18)30-23(31-22)17-8-7-16(24)12-19(17)25/h2-9,12,14,23,26,30H,10-11,13H2,1H3,(H,27,29)(H,28,31).
What are the key properties of N-[2-[[2-(2,4-dichlorophenyl)-2,3-dihydro-1H-quinazolin-4-ylidene]amino]ethyl]-5-(methylaminomethyl)pyridin-2-amine?
N-[2-[[2-(2,4-dichlorophenyl)-2,3-dihydro-1H-quinazolin-4-ylidene]amino]ethyl]-5-(methylaminomethyl)pyridin-2-amine has a molecular weight of 455.39 g/mol, XLogP of 4.68, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,4-dichlorophenyl)-2,3-dihydro-1H-quinazolin-4-ylidene]amino]ethyl]-5-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 142253512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).