[4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone

C23H24ClN5O — CID 71842499

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
SMILESO=C(c1ccc2ncnc(N3CCCC3)c2c1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H24ClN5O/c24-18-4-6-19(7-5-18)27-11-13-29(14-12-27)23(30)17-3-8-21-20(15-17)22(26-16-25-21)28-9-1-2-10-28/h3-8,15-16H,1-2,9-14H2
InChIKeyFVKLMDNYMAYCRO-UHFFFAOYSA-N
MW421.93 g/mol
LogP3.85
Rot. Bonds3

About [4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone

[4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone (PubChem CID 71842499) has the molecular formula C23H24ClN5O and a molecular weight of 421.93 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
PubChem CID71842499
Molecular FormulaC23H24ClN5O
Molecular Weight421.93 g/mol
Exact Mass421.17
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
SMILESO=C(c1ccc2ncnc(N3CCCC3)c2c1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H24ClN5O/c24-18-4-6-19(7-5-18)27-11-13-29(14-12-27)23(30)17-3-8-21-20(15-17)22(26-16-25-21)28-9-1-2-10-28/h3-8,15-16H,1-2,9-14H2
InChIKeyFVKLMDNYMAYCRO-UHFFFAOYSA-N
XLogP3.85
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842473
1-[4-(6-chloroquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 171328778
cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
CID 126896004
6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
CID 69016475
[1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone
CID 53102305
(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
CID 126896032
3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 126896027
[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 133314829
2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 56903524
(4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone
CID 68509311
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295154
N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide
CID 126896023

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone (CID 71842499) is [4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone is O=C(c1ccc2ncnc(N3CCCC3)c2c1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone?
The InChIKey is FVKLMDNYMAYCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O/c24-18-4-6-19(7-5-18)27-11-13-29(14-12-27)23(30)17-3-8-21-20(15-17)22(26-16-25-21)28-9-1-2-10-28/h3-8,15-16H,1-2,9-14H2.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone has a molecular weight of 421.93 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone is sourced from PubChem (CID 71842499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).