ethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane

C18H27N3 — CID 159745958

IUPACethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane
SMILESCC.CCC.Cc1nc(N)nc2c1CCc1ccccc1-2
InChIInChI=1S/C13H13N3.C3H8.C2H6/c1-8-10-7-6-9-4-2-3-5-11(9)12(10)16-13(14)15-8;1-3-2;1-2/h2-5H,6-7H2,1H3,(H2,14,15,16);3H2,1-2H3;1-2H3
InChIKeyNDAWRLMHWYMUSL-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.58
Rot. Bonds

About ethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane

ethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane (PubChem CID 159745958) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is ethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane.

Molecular Properties

Compound Nameethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane
PubChem CID159745958
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Nameethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane
SMILESCC.CCC.Cc1nc(N)nc2c1CCc1ccccc1-2
InChIInChI=1S/C13H13N3.C3H8.C2H6/c1-8-10-7-6-9-4-2-3-5-11(9)12(10)16-13(14)15-8;1-3-2;1-2/h2-5H,6-7H2,1H3,(H2,14,15,16);3H2,1-2H3;1-2H3
InChIKeyNDAWRLMHWYMUSL-UHFFFAOYSA-N
XLogP4.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene
CID 14448103
4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 56950109
6-chloro-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 86621898
6-[2-(dimethylamino)ethoxy]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25074121
9,10-dihydrophenanthrene;ethane
CID 143759681
4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-2,3-diamine
CID 71191881
6-(3-aminoazetidin-1-yl)-3,5-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-4-amine
CID 66741046
(4-amino-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),3,5,13,15-hexaen-6-yl) 4-methylbenzenesulfonate
CID 87741502
6-N-methyl-6-N-(2-piperidin-1-ylethyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine
CID 59774336
ethyl 13-amino-11-(furan-2-yl)-15-thia-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate
CID 1049198
14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride
CID 134093989
4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline
CID 10639883

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane?
The IUPAC name of ethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane (CID 159745958) is ethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane.
What is the SMILES notation for ethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane?
The canonical SMILES for ethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane is CC.CCC.Cc1nc(N)nc2c1CCc1ccccc1-2.
What is the InChIKey of ethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane?
The InChIKey is NDAWRLMHWYMUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3.C3H8.C2H6/c1-8-10-7-6-9-4-2-3-5-11(9)12(10)16-13(14)15-8;1-3-2;1-2/h2-5H,6-7H2,1H3,(H2,14,15,16);3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane?
ethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane has a molecular weight of 285.44 g/mol, XLogP of 4.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane is sourced from PubChem (CID 159745958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).