1-[3-(dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione

C19H25N3S — CID 938946

IUPAC1-[3-(dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
SMILESCN(C)CCCn1c(-c2ccccc2)nc(=S)c2c1CCCC2
InChIInChI=1S/C19H25N3S/c1-21(2)13-8-14-22-17-12-7-6-11-16(17)19(23)20-18(22)15-9-4-3-5-10-15/h3-5,9-10H,6-8,11-14H2,1-2H3
InChIKeyRGXIZYCMZRSMQS-UHFFFAOYSA-N
MW327.50 g/mol
LogP4.11
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione

1-[3-(dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione (PubChem CID 938946) has the molecular formula C19H25N3S and a molecular weight of 327.50 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
PubChem CID938946
Molecular FormulaC19H25N3S
Molecular Weight327.50 g/mol
Exact Mass327.18
IUPAC Name1-[3-(dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
SMILESCN(C)CCCn1c(-c2ccccc2)nc(=S)c2c1CCCC2
InChIInChI=1S/C19H25N3S/c1-21(2)13-8-14-22-17-12-7-6-11-16(17)19(23)20-18(22)15-9-4-3-5-10-15/h3-5,9-10H,6-8,11-14H2,1-2H3
InChIKeyRGXIZYCMZRSMQS-UHFFFAOYSA-N
XLogP4.11
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
The IUPAC name of 1-[3-(dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione (CID 938946) is 1-[3-(dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione is CN(C)CCCn1c(-c2ccccc2)nc(=S)c2c1CCCC2.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
The InChIKey is RGXIZYCMZRSMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3S/c1-21(2)13-8-14-22-17-12-7-6-11-16(17)19(23)20-18(22)15-9-4-3-5-10-15/h3-5,9-10H,6-8,11-14H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
1-[3-(dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione has a molecular weight of 327.50 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione is sourced from PubChem (CID 938946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).