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

C21H23Cl2N5 — CID 12703204

IUPAC2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine
SMILESCCN1CCCC(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccccc23)C1
InChIInChI=1S/C21H23Cl2N5/c1-2-28-11-5-6-15(13-28)24-20-16-7-3-4-8-19(16)26-21(27-20)25-14-9-10-17(22)18(23)12-14/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H2,24,25,26,27)
InChIKeyCWKKEUGZNRCJGN-UHFFFAOYSA-N
MW416.36 g/mol
LogP5.58
Rot. Bonds5

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

2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine (PubChem CID 12703204) has the molecular formula C21H23Cl2N5 and a molecular weight of 416.36 g/mol. Its IUPAC name is 2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine
PubChem CID12703204
Molecular FormulaC21H23Cl2N5
Molecular Weight416.36 g/mol
Exact Mass415.13
IUPAC Name2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine
SMILESCCN1CCCC(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccccc23)C1
InChIInChI=1S/C21H23Cl2N5/c1-2-28-11-5-6-15(13-28)24-20-16-7-3-4-8-19(16)26-21(27-20)25-14-9-10-17(22)18(23)12-14/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H2,24,25,26,27)
InChIKeyCWKKEUGZNRCJGN-UHFFFAOYSA-N
XLogP5.58
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.36
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine
CID 12703265
2-chloro-4-[[4-(cyclohexylamino)quinazolin-2-yl]amino]benzonitrile
CID 134115945
4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine
CID 62142127
N-(1-ethylpiperidin-3-yl)-4-methylquinolin-2-amine
CID 122561309
3,5-dichloro-2-N-ethyl-6-N-(1-ethylpiperidin-3-yl)pyridine-2,6-diamine
CID 102756946
4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine
CID 59682688
1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea
CID 47349344
2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 56729090
N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine
CID 51983203
2-N-(3-chloro-4-fluorophenyl)-4-N-(1-cyclopentylethyl)quinazoline-2,4-diamine
CID 164754266
1-(3,4-dichlorophenyl)-2-[4-[[(3R)-1-ethylpiperidin-3-yl]amino]-6-methylpyrimidin-2-yl]guanidine
CID 122461503
1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171830814

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine (CID 12703204) is 2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine is CCN1CCCC(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccccc23)C1.
What is the InChIKey of 2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine?
The InChIKey is CWKKEUGZNRCJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5/c1-2-28-11-5-6-15(13-28)24-20-16-7-3-4-8-19(16)26-21(27-20)25-14-9-10-17(22)18(23)12-14/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H2,24,25,26,27).
What are the key properties of 2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine?
2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine has a molecular weight of 416.36 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 12703204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).