3-amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one

C26H34N6O — CID 23155650

IUPAC3-amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCc1cc(N2CCN(CCCCc3nc4c(c(=O)n3N)CCCC4)CC2)nc2ccccc12
InChIInChI=1S/C26H34N6O/c1-19-18-25(29-22-10-4-2-8-20(19)22)31-16-14-30(15-17-31)13-7-6-12-24-28-23-11-5-3-9-21(23)26(33)32(24)27/h2,4,8,10,18H,3,5-7,9,11-17,27H2,1H3
InChIKeyQZHACJCMCCGZRU-UHFFFAOYSA-N
MW446.60 g/mol
LogP2.84
Rot. Bonds6

About 3-amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one

3-amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 23155650) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 3-amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID23155650
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name3-amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCc1cc(N2CCN(CCCCc3nc4c(c(=O)n3N)CCCC4)CC2)nc2ccccc12
InChIInChI=1S/C26H34N6O/c1-19-18-25(29-22-10-4-2-8-20(19)22)31-16-14-30(15-17-31)13-7-6-12-24-28-23-11-5-3-9-21(23)26(33)32(24)27/h2,4,8,10,18H,3,5-7,9,11-17,27H2,1H3
InChIKeyQZHACJCMCCGZRU-UHFFFAOYSA-N
XLogP2.84
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one (CID 23155650) is 3-amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one is Cc1cc(N2CCN(CCCCc3nc4c(c(=O)n3N)CCCC4)CC2)nc2ccccc12.
What is the InChIKey of 3-amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is QZHACJCMCCGZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-19-18-25(29-22-10-4-2-8-20(19)22)31-16-14-30(15-17-31)13-7-6-12-24-28-23-11-5-3-9-21(23)26(33)32(24)27/h2,4,8,10,18H,3,5-7,9,11-17,27H2,1H3.
What are the key properties of 3-amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one?
3-amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 446.60 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 23155650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).