7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one

C23H22Cl2N4O — CID 135853204

IUPAC7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCN(CCc3c[nH]c4cc(Cl)ccc34)CC2)nc2cc(Cl)ccc12
InChIInChI=1S/C23H22Cl2N4O/c24-16-1-3-18-15(13-26-20(18)11-16)7-10-29-8-5-14(6-9-29)22-27-21-12-17(25)2-4-19(21)23(30)28-22/h1-4,11-14,26H,5-10H2,(H,27,28,30)
InChIKeyBKSGIAVNLJJBBO-UHFFFAOYSA-N
MW441.36 g/mol
LogP5.13
Rot. Bonds4

About 7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one

7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one (PubChem CID 135853204) has the molecular formula C23H22Cl2N4O and a molecular weight of 441.36 g/mol. Its IUPAC name is 7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one
PubChem CID135853204
Molecular FormulaC23H22Cl2N4O
Molecular Weight441.36 g/mol
Exact Mass440.12
IUPAC Name7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCN(CCc3c[nH]c4cc(Cl)ccc34)CC2)nc2cc(Cl)ccc12
InChIInChI=1S/C23H22Cl2N4O/c24-16-1-3-18-15(13-26-20(18)11-16)7-10-29-8-5-14(6-9-29)22-27-21-12-17(25)2-4-19(21)23(30)28-22/h1-4,11-14,26H,5-10H2,(H,27,28,30)
InChIKeyBKSGIAVNLJJBBO-UHFFFAOYSA-N
XLogP5.13
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one with MolForge

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Related Compounds

5-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 135853248
2-[1-[2-(5-chloro-2H-indazol-3-yl)ethyl]piperidin-4-yl]-5-fluoro-3H-quinazolin-4-one
CID 135853234
7-chloro-2-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 154832505
6-chloro-3-[2-[4-(2,2-dimethyl-3H-1-benzofuran-7-yl)piperidin-1-yl]ethyl]-1H-indole;oxalic acid
CID 18406967
4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole
CID 22462300
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
3-[2-[4-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole
CID 21428727
2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one
CID 137298702
4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole
CID 22364686
5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 18184313
6-chloro-3-[2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]ethyl]-1H-indole
CID 22462261
7-chloro-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135951727

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one (CID 135853204) is 7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one is O=c1[nH]c(C2CCN(CCc3c[nH]c4cc(Cl)ccc34)CC2)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one?
The InChIKey is BKSGIAVNLJJBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O/c24-16-1-3-18-15(13-26-20(18)11-16)7-10-29-8-5-14(6-9-29)22-27-21-12-17(25)2-4-19(21)23(30)28-22/h1-4,11-14,26H,5-10H2,(H,27,28,30).
What are the key properties of 7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one?
7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one has a molecular weight of 441.36 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 135853204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).