3-[[3-[1-(hexan-3-ylamino)ethenyl]phenyl]methyl]-6,7-dihydro-4H-quinazolin-2-amine

C23H32N4 — CID 143181685

IUPAC3-[[3-[1-(hexan-3-ylamino)ethenyl]phenyl]methyl]-6,7-dihydro-4H-quinazolin-2-amine
SMILESC=C(NC(CC)CCC)c1cccc(CN2CC3=CCCC=C3N=C2N)c1
InChIInChI=1S/C23H32N4/c1-4-9-21(5-2)25-17(3)19-12-8-10-18(14-19)15-27-16-20-11-6-7-13-22(20)26-23(27)24/h8,10-14,21,25H,3-7,9,15-16H2,1-2H3,(H2,24,26)
InChIKeyYQFPUBMPCCWILP-UHFFFAOYSA-N
MW364.54 g/mol
LogP4.56
Rot. Bonds8

About 3-[[3-[1-(hexan-3-ylamino)ethenyl]phenyl]methyl]-6,7-dihydro-4H-quinazolin-2-amine

3-[[3-[1-(hexan-3-ylamino)ethenyl]phenyl]methyl]-6,7-dihydro-4H-quinazolin-2-amine (PubChem CID 143181685) has the molecular formula C23H32N4 and a molecular weight of 364.54 g/mol. Its IUPAC name is 3-[[3-[1-(hexan-3-ylamino)ethenyl]phenyl]methyl]-6,7-dihydro-4H-quinazolin-2-amine.

Molecular Properties

Compound Name3-[[3-[1-(hexan-3-ylamino)ethenyl]phenyl]methyl]-6,7-dihydro-4H-quinazolin-2-amine
PubChem CID143181685
Molecular FormulaC23H32N4
Molecular Weight364.54 g/mol
Exact Mass364.26
IUPAC Name3-[[3-[1-(hexan-3-ylamino)ethenyl]phenyl]methyl]-6,7-dihydro-4H-quinazolin-2-amine
SMILESC=C(NC(CC)CCC)c1cccc(CN2CC3=CCCC=C3N=C2N)c1
InChIInChI=1S/C23H32N4/c1-4-9-21(5-2)25-17(3)19-12-8-10-18(14-19)15-27-16-20-11-6-7-13-22(20)26-23(27)24/h8,10-14,21,25H,3-7,9,15-16H2,1-2H3,(H2,24,26)
InChIKeyYQFPUBMPCCWILP-UHFFFAOYSA-N
XLogP4.56
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[3-[1-(hexan-3-ylamino)ethenyl]phenyl]methyl]-6,7-dihydro-4H-quinazolin-2-amine 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 3-[[3-[1-(hexan-3-ylamino)ethenyl]phenyl]methyl]-6,7-dihydro-4H-quinazolin-2-amine?
The IUPAC name of 3-[[3-[1-(hexan-3-ylamino)ethenyl]phenyl]methyl]-6,7-dihydro-4H-quinazolin-2-amine (CID 143181685) is 3-[[3-[1-(hexan-3-ylamino)ethenyl]phenyl]methyl]-6,7-dihydro-4H-quinazolin-2-amine.
What is the SMILES notation for 3-[[3-[1-(hexan-3-ylamino)ethenyl]phenyl]methyl]-6,7-dihydro-4H-quinazolin-2-amine?
The canonical SMILES for 3-[[3-[1-(hexan-3-ylamino)ethenyl]phenyl]methyl]-6,7-dihydro-4H-quinazolin-2-amine is C=C(NC(CC)CCC)c1cccc(CN2CC3=CCCC=C3N=C2N)c1.
What is the InChIKey of 3-[[3-[1-(hexan-3-ylamino)ethenyl]phenyl]methyl]-6,7-dihydro-4H-quinazolin-2-amine?
The InChIKey is YQFPUBMPCCWILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4/c1-4-9-21(5-2)25-17(3)19-12-8-10-18(14-19)15-27-16-20-11-6-7-13-22(20)26-23(27)24/h8,10-14,21,25H,3-7,9,15-16H2,1-2H3,(H2,24,26).
What are the key properties of 3-[[3-[1-(hexan-3-ylamino)ethenyl]phenyl]methyl]-6,7-dihydro-4H-quinazolin-2-amine?
3-[[3-[1-(hexan-3-ylamino)ethenyl]phenyl]methyl]-6,7-dihydro-4H-quinazolin-2-amine has a molecular weight of 364.54 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[1-(hexan-3-ylamino)ethenyl]phenyl]methyl]-6,7-dihydro-4H-quinazolin-2-amine is sourced from PubChem (CID 143181685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).