3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine

C20H28N4 — CID 143181693

IUPAC3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine
SMILESC=C(CCN1CC2=C(C=C(C3=C(C)CCC=C3)CC2)N=C1N)NC
InChIInChI=1S/C20H28N4/c1-14-6-4-5-7-18(14)16-8-9-17-13-24(11-10-15(2)22-3)20(21)23-19(17)12-16/h5,7,12,22H,2,4,6,8-11,13H2,1,3H3,(H2,21,23)
InChIKeyQOWBGMGXQRIRMT-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.38
Rot. Bonds5

About 3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine

3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine (PubChem CID 143181693) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine.

Molecular Properties

Compound Name3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine
PubChem CID143181693
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine
SMILESC=C(CCN1CC2=C(C=C(C3=C(C)CCC=C3)CC2)N=C1N)NC
InChIInChI=1S/C20H28N4/c1-14-6-4-5-7-18(14)16-8-9-17-13-24(11-10-15(2)22-3)20(21)23-19(17)12-16/h5,7,12,22H,2,4,6,8-11,13H2,1,3H3,(H2,21,23)
InChIKeyQOWBGMGXQRIRMT-UHFFFAOYSA-N
XLogP3.38
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexa-1,3-dien-1-yl-N'-[3-(cyclohexen-1-yl)-1-[(3-fluorocyclohexa-1,3-dien-1-yl)methylamino]propyl]carbamimidoyl chloride
CID 173667642
2-N-[8-(1-aminoethyl)-4-methyl-5,6-dihydro-1H-quinazolin-4-yl]-3-cyclohepta-1,3,6-trien-1-yl-1-N-methylpropane-1,2-diamine
CID 91039308
ethane;3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine;methylcyclopentane
CID 143181692
N-[[4-[[[6-[2-(cyclohexen-1-yl)ethylamino]-4-methyl-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]methyl]cyclohexa-2,4-dien-1-yl]methyl]-N'-cyclohexylpropane-1,3-diamine
CID 143378522
7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide
CID 173403073
1-(4-Aminocyclohex-2-en-1-yl)-2-[6-(4-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-2-yl]guanidine
CID 173890090
7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine
CID 70416977
2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
CID 142230774
2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine
CID 142511350
7-Methyl-4-piperidin-1-yl-1,4,5,6-tetrahydroquinazoline
CID 157868639

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine?
The IUPAC name of 3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine (CID 143181693) is 3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine.
What is the SMILES notation for 3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine?
The canonical SMILES for 3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine is C=C(CCN1CC2=C(C=C(C3=C(C)CCC=C3)CC2)N=C1N)NC.
What is the InChIKey of 3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine?
The InChIKey is QOWBGMGXQRIRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-14-6-4-5-7-18(14)16-8-9-17-13-24(11-10-15(2)22-3)20(21)23-19(17)12-16/h5,7,12,22H,2,4,6,8-11,13H2,1,3H3,(H2,21,23).
What are the key properties of 3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine?
3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine has a molecular weight of 324.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine is sourced from PubChem (CID 143181693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).