5-chloro-8-N-(1-methylpiperidin-4-yl)-2-N-phenylquinazoline-2,8-diamine

C20H22ClN5 — CID 173100889

IUPAC5-chloro-8-N-(1-methylpiperidin-4-yl)-2-N-phenylquinazoline-2,8-diamine
SMILESCN1CCC(Nc2ccc(Cl)c3cnc(Nc4ccccc4)nc23)CC1
InChIInChI=1S/C20H22ClN5/c1-26-11-9-15(10-12-26)23-18-8-7-17(21)16-13-22-20(25-19(16)18)24-14-5-3-2-4-6-14/h2-8,13,15,23H,9-12H2,1H3,(H,22,24,25)
InChIKeyYLSWPYJKSAFGPI-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.53
Rot. Bonds4

About 5-chloro-8-N-(1-methylpiperidin-4-yl)-2-N-phenylquinazoline-2,8-diamine

5-chloro-8-N-(1-methylpiperidin-4-yl)-2-N-phenylquinazoline-2,8-diamine (PubChem CID 173100889) has the molecular formula C20H22ClN5 and a molecular weight of 367.88 g/mol. Its IUPAC name is 5-chloro-8-N-(1-methylpiperidin-4-yl)-2-N-phenylquinazoline-2,8-diamine.

Molecular Properties

Compound Name5-chloro-8-N-(1-methylpiperidin-4-yl)-2-N-phenylquinazoline-2,8-diamine
PubChem CID173100889
Molecular FormulaC20H22ClN5
Molecular Weight367.88 g/mol
Exact Mass367.16
IUPAC Name5-chloro-8-N-(1-methylpiperidin-4-yl)-2-N-phenylquinazoline-2,8-diamine
SMILESCN1CCC(Nc2ccc(Cl)c3cnc(Nc4ccccc4)nc23)CC1
InChIInChI=1S/C20H22ClN5/c1-26-11-9-15(10-12-26)23-18-8-7-17(21)16-13-22-20(25-19(16)18)24-14-5-3-2-4-6-14/h2-8,13,15,23H,9-12H2,1H3,(H,22,24,25)
InChIKeyYLSWPYJKSAFGPI-UHFFFAOYSA-N
XLogP4.53
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine
CID 172591042
4-chloro-N-(1-methylpiperidin-4-yl)pyridin-3-amine
CID 83166896
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine
CID 175725425
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67210207
1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 123184963
4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 175747416
N-(1-methylpiperidin-4-yl)isoquinolin-5-amine
CID 43681291
4-N-(3-chloro-4-fluorophenyl)-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 6918508
4-amino-3-(2,6-dichlorophenyl)-7-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrimido[4,5-d]pyrimidin-2-one
CID 58455452
2-chloro-4-[[4-(cycloheptylamino)-6-[(1-methylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]phenol
CID 10321323
N-(1-methylpiperidin-4-yl)quinolin-3-amine
CID 43691175
N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine
CID 65071149

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-N-(1-methylpiperidin-4-yl)-2-N-phenylquinazoline-2,8-diamine?
The IUPAC name of 5-chloro-8-N-(1-methylpiperidin-4-yl)-2-N-phenylquinazoline-2,8-diamine (CID 173100889) is 5-chloro-8-N-(1-methylpiperidin-4-yl)-2-N-phenylquinazoline-2,8-diamine.
What is the SMILES notation for 5-chloro-8-N-(1-methylpiperidin-4-yl)-2-N-phenylquinazoline-2,8-diamine?
The canonical SMILES for 5-chloro-8-N-(1-methylpiperidin-4-yl)-2-N-phenylquinazoline-2,8-diamine is CN1CCC(Nc2ccc(Cl)c3cnc(Nc4ccccc4)nc23)CC1.
What is the InChIKey of 5-chloro-8-N-(1-methylpiperidin-4-yl)-2-N-phenylquinazoline-2,8-diamine?
The InChIKey is YLSWPYJKSAFGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5/c1-26-11-9-15(10-12-26)23-18-8-7-17(21)16-13-22-20(25-19(16)18)24-14-5-3-2-4-6-14/h2-8,13,15,23H,9-12H2,1H3,(H,22,24,25).
What are the key properties of 5-chloro-8-N-(1-methylpiperidin-4-yl)-2-N-phenylquinazoline-2,8-diamine?
5-chloro-8-N-(1-methylpiperidin-4-yl)-2-N-phenylquinazoline-2,8-diamine has a molecular weight of 367.88 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-N-(1-methylpiperidin-4-yl)-2-N-phenylquinazoline-2,8-diamine is sourced from PubChem (CID 173100889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).