(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone

C27H24ClN5O — CID 108809734

IUPAC(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1c2c(nc3ccc(Cl)cc13)CCC2)N1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C27H24ClN5O/c28-19-9-10-23-21(15-19)26(20-7-4-8-22(20)31-23)27(34)33-13-11-32(12-14-33)25-16-24(29-17-30-25)18-5-2-1-3-6-18/h1-3,5-6,9-10,15-17H,4,7-8,11-14H2
InChIKeyMQULUZCDDUMNBE-UHFFFAOYSA-N
MW469.98 g/mol
LogP4.80
Rot. Bonds3

About (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone

(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 108809734) has the molecular formula C27H24ClN5O and a molecular weight of 469.98 g/mol. Its IUPAC name is (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID108809734
Molecular FormulaC27H24ClN5O
Molecular Weight469.98 g/mol
Exact Mass469.17
IUPAC Name(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1c2c(nc3ccc(Cl)cc13)CCC2)N1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C27H24ClN5O/c28-19-9-10-23-21(15-19)26(20-7-4-8-22(20)31-23)27(34)33-13-11-32(12-14-33)25-16-24(29-17-30-25)18-5-2-1-3-6-18/h1-3,5-6,9-10,15-17H,4,7-8,11-14H2
InChIKeyMQULUZCDDUMNBE-UHFFFAOYSA-N
XLogP4.80
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.98
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108736754
(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108809752
(3-bromophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516750
(4-bromophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516583
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108736723
(3-chlorophenyl)-[4-[6-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50840767
(3-nitrophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516584
4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 90516591
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 56764803
2-(2,4-dichlorophenoxy)-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 90516605
(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone
CID 108809755
7-chloro-N-(2-hydroxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799537

Frequently Asked Questions

What is the IUPAC name of (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 108809734) is (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is O=C(c1c2c(nc3ccc(Cl)cc13)CCC2)N1CCN(c2cc(-c3ccccc3)ncn2)CC1.
What is the InChIKey of (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is MQULUZCDDUMNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN5O/c28-19-9-10-23-21(15-19)26(20-7-4-8-22(20)31-23)27(34)33-13-11-32(12-14-33)25-16-24(29-17-30-25)18-5-2-1-3-6-18/h1-3,5-6,9-10,15-17H,4,7-8,11-14H2.
What are the key properties of (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 469.98 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 108809734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).