(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride

C20H23ClN4O2 — CID 67568356

IUPAC(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride
SMILESCOc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2ccccc2N3)cc1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-26-15-8-6-14(7-9-15)19(25)24-12-10-20(11-13-24)22-17-5-3-2-4-16(17)18(21)23-20;/h2-9,22H,10-13H2,1H3,(H2,21,23);1H
InChIKeyVEJOSLBRDNWTHU-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.88
Rot. Bonds2

About (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride

(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride (PubChem CID 67568356) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride
PubChem CID67568356
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride
SMILESCOc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2ccccc2N3)cc1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-26-15-8-6-14(7-9-15)19(25)24-12-10-20(11-13-24)22-17-5-3-2-4-16(17)18(21)23-20;/h2-9,22H,10-13H2,1H3,(H2,21,23);1H
InChIKeyVEJOSLBRDNWTHU-UHFFFAOYSA-N
XLogP2.88
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-hydroxyphenyl)methanone
CID 21192745
4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide
CID 21192867
8-benzoyl-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911554
3-(4-bromophenyl)-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 22577424
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone
CID 21192876
4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide
CID 54170243
4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile
CID 21192859
3-benzyl-8-(4-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16812524
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
1'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 112844314

Frequently Asked Questions

What is the IUPAC name of (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride?
The IUPAC name of (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride (CID 67568356) is (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride?
The canonical SMILES for (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride is COc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2ccccc2N3)cc1.Cl.
What is the InChIKey of (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride?
The InChIKey is VEJOSLBRDNWTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.ClH/c1-26-15-8-6-14(7-9-15)19(25)24-12-10-20(11-13-24)22-17-5-3-2-4-16(17)18(21)23-20;/h2-9,22H,10-13H2,1H3,(H2,21,23);1H.
What are the key properties of (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride?
(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 67568356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).