1-[4-(7-chloro-6-morpholin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one

C19H22ClN5O2 — CID 118018837

IUPAC1-[4-(7-chloro-6-morpholin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2ncnc3cc(Cl)c(N4CCOCC4)cc23)CC1
InChIInChI=1S/C19H22ClN5O2/c1-2-18(26)24-3-5-25(6-4-24)19-14-11-17(23-7-9-27-10-8-23)15(20)12-16(14)21-13-22-19/h2,11-13H,1,3-10H2
InChIKeyQCNFSVAJKRKWFW-UHFFFAOYSA-N
MW387.87 g/mol
LogP1.95
Rot. Bonds3

About 1-[4-(7-chloro-6-morpholin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one

1-[4-(7-chloro-6-morpholin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 118018837) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 1-[4-(7-chloro-6-morpholin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(7-chloro-6-morpholin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one
PubChem CID118018837
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name1-[4-(7-chloro-6-morpholin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2ncnc3cc(Cl)c(N4CCOCC4)cc23)CC1
InChIInChI=1S/C19H22ClN5O2/c1-2-18(26)24-3-5-25(6-4-24)19-14-11-17(23-7-9-27-10-8-23)15(20)12-16(14)21-13-22-19/h2,11-13H,1,3-10H2
InChIKeyQCNFSVAJKRKWFW-UHFFFAOYSA-N
XLogP1.95
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-(7-chloro-6-morpholin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-chloro-6-morpholin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-(7-chloro-6-morpholin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one (CID 118018837) is 1-[4-(7-chloro-6-morpholin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(7-chloro-6-morpholin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(7-chloro-6-morpholin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2ncnc3cc(Cl)c(N4CCOCC4)cc23)CC1.
What is the InChIKey of 1-[4-(7-chloro-6-morpholin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is QCNFSVAJKRKWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-2-18(26)24-3-5-25(6-4-24)19-14-11-17(23-7-9-27-10-8-23)15(20)12-16(14)21-13-22-19/h2,11-13H,1,3-10H2.
What are the key properties of 1-[4-(7-chloro-6-morpholin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one?
1-[4-(7-chloro-6-morpholin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 387.87 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-chloro-6-morpholin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 118018837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).