4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine

C20H23N5 — CID 170533413

IUPAC4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine
SMILESCN1Cc2cc(-c3nc(N)nc4cccc(N)c34)ccc2C(C)(C)C1
InChIInChI=1S/C20H23N5/c1-20(2)11-25(3)10-13-9-12(7-8-14(13)20)18-17-15(21)5-4-6-16(17)23-19(22)24-18/h4-9H,10-11,21H2,1-3H3,(H2,22,23,24)
InChIKeySNTRZAVDQUURPI-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.18
Rot. Bonds1

About 4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine

4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine (PubChem CID 170533413) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine.

Molecular Properties

Compound Name4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine
PubChem CID170533413
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine
SMILESCN1Cc2cc(-c3nc(N)nc4cccc(N)c34)ccc2C(C)(C)C1
InChIInChI=1S/C20H23N5/c1-20(2)11-25(3)10-13-9-12(7-8-14(13)20)18-17-15(21)5-4-6-16(17)23-19(22)24-18/h4-9H,10-11,21H2,1-3H3,(H2,22,23,24)
InChIKeySNTRZAVDQUURPI-UHFFFAOYSA-N
XLogP3.18
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine 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

7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 11201271
4-(2-methyl-3-pyridinyl)quinazoline-2,5-diamine
CID 163290769
4-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 166685038
4-(9,9-dimethylfluoren-2-yl)quinazolin-2-amine
CID 146421035
3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine
CID 58529230
3-[4,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoquinolin-2-yl]propan-1-ol
CID 162731161
2-(2-methoxyethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-amine
CID 18382595
4,4-dimethyl-1-propan-2-yl-5H-pyrazolo[4,5-h]quinazolin-8-amine
CID 142345753
5-(3,4-difluorophenyl)quinazoline-2,4-diamine
CID 175913106
2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine
CID 12676683
2,3-dimethylindazol-4-amine
CID 84716789
2,4-dimethyl-1,3-dihydroisoquinolin-4-ol
CID 13117140

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine?
The IUPAC name of 4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine (CID 170533413) is 4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine.
What is the SMILES notation for 4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine?
The canonical SMILES for 4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine is CN1Cc2cc(-c3nc(N)nc4cccc(N)c34)ccc2C(C)(C)C1.
What is the InChIKey of 4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine?
The InChIKey is SNTRZAVDQUURPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-20(2)11-25(3)10-13-9-12(7-8-14(13)20)18-17-15(21)5-4-6-16(17)23-19(22)24-18/h4-9H,10-11,21H2,1-3H3,(H2,22,23,24).
What are the key properties of 4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine?
4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine has a molecular weight of 333.44 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine is sourced from PubChem (CID 170533413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).