2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide

C17H18ClN5O2 — CID 87015310

IUPAC2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)N1CCN(c2ncnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C17H18ClN5O2/c18-11-1-4-13-14(9-11)19-10-20-15(13)22-5-7-23(8-6-22)17(25)16(24)21-12-2-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,21,24)
InChIKeyJCXAJAOWXWATBS-UHFFFAOYSA-N
MW359.82 g/mol
LogP1.21
Rot. Bonds2

About 2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide

2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide (PubChem CID 87015310) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
PubChem CID87015310
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)N1CCN(c2ncnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C17H18ClN5O2/c18-11-1-4-13-14(9-11)19-10-20-15(13)22-5-7-23(8-6-22)17(25)16(24)21-12-2-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,21,24)
InChIKeyJCXAJAOWXWATBS-UHFFFAOYSA-N
XLogP1.21
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
CID 24829708
1-(7-chloroquinazolin-4-yl)piperidin-4-ol
CID 17488821
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 86839632
1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163352823
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 86884110
(4-chlorophenyl)-[(3S)-3-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 143257056
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
CID 87611497
2-chloro-N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-4-nitrobenzamide
CID 24830041
N-cyclopropyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 47281905
N-cyclopropyl-2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 133297271
[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 133314829
1-[4-(6-chloroquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 171328778

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
The IUPAC name of 2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide (CID 87015310) is 2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide.
What is the SMILES notation for 2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
The canonical SMILES for 2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide is O=C(NC1CC1)C(=O)N1CCN(c2ncnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
The InChIKey is JCXAJAOWXWATBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c18-11-1-4-13-14(9-11)19-10-20-15(13)22-5-7-23(8-6-22)17(25)16(24)21-12-2-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,21,24).
What are the key properties of 2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide has a molecular weight of 359.82 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide is sourced from PubChem (CID 87015310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).