(4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride

C17H18Cl2N4OS — CID 162309124

IUPAC(4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride
SMILESCl.NC1=NC2(CCN(C(=O)c3cccs3)CC2)Nc2cccc(Cl)c21
InChIInChI=1S/C17H17ClN4OS.ClH/c18-11-3-1-4-12-14(11)15(19)21-17(20-12)6-8-22(9-7-17)16(23)13-5-2-10-24-13;/h1-5,10,20H,6-9H2,(H2,19,21);1H
InChIKeyOGTYXNKNMYIZOO-UHFFFAOYSA-N
MW397.33 g/mol
LogP3.59
Rot. Bonds1

About (4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride

(4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride (PubChem CID 162309124) has the molecular formula C17H18Cl2N4OS and a molecular weight of 397.33 g/mol. Its IUPAC name is (4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride
PubChem CID162309124
Molecular FormulaC17H18Cl2N4OS
Molecular Weight397.33 g/mol
Exact Mass396.06
IUPAC Name(4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride
SMILESCl.NC1=NC2(CCN(C(=O)c3cccs3)CC2)Nc2cccc(Cl)c21
InChIInChI=1S/C17H17ClN4OS.ClH/c18-11-3-1-4-12-14(11)15(19)21-17(20-12)6-8-22(9-7-17)16(23)13-5-2-10-24-13;/h1-5,10,20H,6-9H2,(H2,19,21);1H
InChIKeyOGTYXNKNMYIZOO-UHFFFAOYSA-N
XLogP3.59
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.33
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride with MolForge

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Related Compounds

(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone
CID 21192876
(2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 18115100
[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113080481
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438
(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-hydroxyphenyl)methanone
CID 21192745
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689026
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
(3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689053
[4-(2-chlorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 4295836
9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97370792

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride?
The IUPAC name of (4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride (CID 162309124) is (4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride.
What is the SMILES notation for (4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride?
The canonical SMILES for (4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride is Cl.NC1=NC2(CCN(C(=O)c3cccs3)CC2)Nc2cccc(Cl)c21.
What is the InChIKey of (4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride?
The InChIKey is OGTYXNKNMYIZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4OS.ClH/c18-11-3-1-4-12-14(11)15(19)21-17(20-12)6-8-22(9-7-17)16(23)13-5-2-10-24-13;/h1-5,10,20H,6-9H2,(H2,19,21);1H.
What are the key properties of (4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride?
(4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride has a molecular weight of 397.33 g/mol, XLogP of 3.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride is sourced from PubChem (CID 162309124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).