3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride

C24H27Cl2N5O2 — CID 90664583

IUPAC3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride
SMILESCOc1ccc(N2CCN(CCn3cnc4c(cnc5ccccc54)c3=O)CC2)cc1.Cl.Cl
InChIInChI=1S/C24H25N5O2.2ClH/c1-31-19-8-6-18(7-9-19)28-13-10-27(11-14-28)12-15-29-17-26-23-20-4-2-3-5-22(20)25-16-21(23)24(29)30;;/h2-9,16-17H,10-15H2,1H3;2*1H
InChIKeyPRFPABISCKKEEE-UHFFFAOYSA-N
MW488.42 g/mol
LogP3.62
Rot. Bonds5

About 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride

3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride (PubChem CID 90664583) has the molecular formula C24H27Cl2N5O2 and a molecular weight of 488.42 g/mol. Its IUPAC name is 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride.

Molecular Properties

Compound Name3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride
PubChem CID90664583
Molecular FormulaC24H27Cl2N5O2
Molecular Weight488.42 g/mol
Exact Mass487.15
IUPAC Name3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride
SMILESCOc1ccc(N2CCN(CCn3cnc4c(cnc5ccccc54)c3=O)CC2)cc1.Cl.Cl
InChIInChI=1S/C24H25N5O2.2ClH/c1-31-19-8-6-18(7-9-19)28-13-10-27(11-14-28)12-15-29-17-26-23-20-4-2-3-5-22(20)25-16-21(23)24(29)30;;/h2-9,16-17H,10-15H2,1H3;2*1H
InChIKeyPRFPABISCKKEEE-UHFFFAOYSA-N
XLogP3.62
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]pyrimido[5,4-c]quinolin-4-one;hydrochloride
CID 56679680
3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-9-methylpyrimido[5,4-c]quinolin-4-one;dihydrochloride
CID 90664947
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride
CID 90664691
3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]pyrimido[5,4-c]quinolin-4-one;hydrochloride
CID 56659246
3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]pyrimido[5,4-c]quinolin-4-one;trihydrochloride
CID 90664694
3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-9-methylpyrimido[5,4-c]quinolin-4-one;hydrochloride
CID 56676420
3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrimido[5,4-c]quinolin-4-one
CID 53377137
1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one
CID 139617041
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-9-methylpyrimido[5,4-c]quinolin-4-one
CID 53375700
3-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-8-methylpyrimido[5,4-c]quinolin-4-one;dihydrochloride
CID 90664445
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-methylpyrimido[5,4-c]quinolin-4-one
CID 53375699
8-methoxy-3-(2-morpholin-4-ylethyl)quinazolin-4-one
CID 39782631

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride?
The IUPAC name of 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride (CID 90664583) is 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride.
What is the SMILES notation for 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride?
The canonical SMILES for 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride is COc1ccc(N2CCN(CCn3cnc4c(cnc5ccccc54)c3=O)CC2)cc1.Cl.Cl.
What is the InChIKey of 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride?
The InChIKey is PRFPABISCKKEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2.2ClH/c1-31-19-8-6-18(7-9-19)28-13-10-27(11-14-28)12-15-29-17-26-23-20-4-2-3-5-22(20)25-16-21(23)24(29)30;;/h2-9,16-17H,10-15H2,1H3;2*1H.
What are the key properties of 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride?
3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride has a molecular weight of 488.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride is sourced from PubChem (CID 90664583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).