7-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline

C18H22N4 — CID 139402711

IUPAC7-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
SMILESc1ccc(C2CCc3c(ncnc3N3CCNCC3)C2)cc1
InChIInChI=1S/C18H22N4/c1-2-4-14(5-3-1)15-6-7-16-17(12-15)20-13-21-18(16)22-10-8-19-9-11-22/h1-5,13,15,19H,6-12H2
InChIKeyVYMNVUVCUGSTPQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.16
Rot. Bonds2

About 7-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline

7-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline (PubChem CID 139402711) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 7-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name7-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
PubChem CID139402711
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name7-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
SMILESc1ccc(C2CCc3c(ncnc3N3CCNCC3)C2)cc1
InChIInChI=1S/C18H22N4/c1-2-4-14(5-3-1)15-6-7-16-17(12-15)20-13-21-18(16)22-10-8-19-9-11-22/h1-5,13,15,19H,6-12H2
InChIKeyVYMNVUVCUGSTPQ-UHFFFAOYSA-N
XLogP2.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 7-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline (CID 139402711) is 7-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 7-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 7-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline is c1ccc(C2CCc3c(ncnc3N3CCNCC3)C2)cc1.
What is the InChIKey of 7-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is VYMNVUVCUGSTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-2-4-14(5-3-1)15-6-7-16-17(12-15)20-13-21-18(16)22-10-8-19-9-11-22/h1-5,13,15,19H,6-12H2.
What are the key properties of 7-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline?
7-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 294.40 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 139402711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).