[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone

C23H25N5O — CID 135108033

IUPAC[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3ccc4ncccc4c3)C1)CC2
InChIInChI=1S/C23H25N5O/c1-27(2)22-25-14-18-8-10-23(20(18)26-22)9-4-12-28(15-23)21(29)17-6-7-19-16(13-17)5-3-11-24-19/h3,5-7,11,13-14H,4,8-10,12,15H2,1-2H3
InChIKeyZKAYXHGBZZHVKO-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.21
Rot. Bonds2

About [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone

[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone (PubChem CID 135108033) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone
PubChem CID135108033
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3ccc4ncccc4c3)C1)CC2
InChIInChI=1S/C23H25N5O/c1-27(2)22-25-14-18-8-10-23(20(18)26-22)9-4-12-28(15-23)21(29)17-6-7-19-16(13-17)5-3-11-24-19/h3,5-7,11,13-14H,4,8-10,12,15H2,1-2H3
InChIKeyZKAYXHGBZZHVKO-UHFFFAOYSA-N
XLogP3.21
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone?
The IUPAC name of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone (CID 135108033) is [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone is CN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3ccc4ncccc4c3)C1)CC2.
What is the InChIKey of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone?
The InChIKey is ZKAYXHGBZZHVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-27(2)22-25-14-18-8-10-23(20(18)26-22)9-4-12-28(15-23)21(29)17-6-7-19-16(13-17)5-3-11-24-19/h3,5-7,11,13-14H,4,8-10,12,15H2,1-2H3.
What are the key properties of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone?
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone has a molecular weight of 387.49 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 135108033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).