6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine

C21H21Cl4N5 — CID 12703265

IUPAC6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine
SMILESCCN1CCCC(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3c(Cl)cc(Cl)cc23)C1
InChIInChI=1S/C21H21Cl4N5/c1-2-30-7-3-4-14(11-30)26-20-15-8-12(22)9-18(25)19(15)28-21(29-20)27-13-5-6-16(23)17(24)10-13/h5-6,8-10,14H,2-4,7,11H2,1H3,(H2,26,27,28,29)
InChIKeyOTPHMFXLNJFYSM-UHFFFAOYSA-N
MW485.25 g/mol
LogP6.88
Rot. Bonds5

About 6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine

6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine (PubChem CID 12703265) has the molecular formula C21H21Cl4N5 and a molecular weight of 485.25 g/mol. Its IUPAC name is 6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine
PubChem CID12703265
Molecular FormulaC21H21Cl4N5
Molecular Weight485.25 g/mol
Exact Mass483.06
IUPAC Name6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine
SMILESCCN1CCCC(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3c(Cl)cc(Cl)cc23)C1
InChIInChI=1S/C21H21Cl4N5/c1-2-30-7-3-4-14(11-30)26-20-15-8-12(22)9-18(25)19(15)28-21(29-20)27-13-5-6-16(23)17(24)10-13/h5-6,8-10,14H,2-4,7,11H2,1H3,(H2,26,27,28,29)
InChIKeyOTPHMFXLNJFYSM-UHFFFAOYSA-N
XLogP6.88
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.25
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine with MolForge

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Related Compounds

2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine
CID 12703204
3,5-dichloro-2-N-ethyl-6-N-(1-ethylpiperidin-3-yl)pyridine-2,6-diamine
CID 102756946
1-(3,4-dichlorophenyl)-2-[4-[[(3R)-1-ethylpiperidin-3-yl]amino]-6-methylpyrimidin-2-yl]guanidine
CID 122461503
1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea
CID 47349344
4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine
CID 62142127
1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171830814
5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80800762
1-ethyl-N-(2,4,6-trichlorophenyl)azepan-4-amine
CID 65074238
7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine
CID 172542987
4-N-(1-ethylpiperidin-3-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326015
5-chloro-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 61170004
N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80897250

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine?
The IUPAC name of 6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine (CID 12703265) is 6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine?
The canonical SMILES for 6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine is CCN1CCCC(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3c(Cl)cc(Cl)cc23)C1.
What is the InChIKey of 6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine?
The InChIKey is OTPHMFXLNJFYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl4N5/c1-2-30-7-3-4-14(11-30)26-20-15-8-12(22)9-18(25)19(15)28-21(29-20)27-13-5-6-16(23)17(24)10-13/h5-6,8-10,14H,2-4,7,11H2,1H3,(H2,26,27,28,29).
What are the key properties of 6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine?
6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine has a molecular weight of 485.25 g/mol, XLogP of 6.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 12703265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).