3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol

C20H22N4O — CID 50945732

IUPAC3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc(N2CCc3ccccc3C2)nc2ccccc12
InChIInChI=1S/C20H22N4O/c25-13-5-11-21-19-17-8-3-4-9-18(17)22-20(23-19)24-12-10-15-6-1-2-7-16(15)14-24/h1-4,6-9,25H,5,10-14H2,(H,21,22,23)
InChIKeyIFOSAUWFCUXQEU-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.99
Rot. Bonds5

About 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol

3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol (PubChem CID 50945732) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol
PubChem CID50945732
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc(N2CCc3ccccc3C2)nc2ccccc12
InChIInChI=1S/C20H22N4O/c25-13-5-11-21-19-17-8-3-4-9-18(17)22-20(23-19)24-12-10-15-6-1-2-7-16(15)14-24/h1-4,6-9,25H,5,10-14H2,(H,21,22,23)
InChIKeyIFOSAUWFCUXQEU-UHFFFAOYSA-N
XLogP2.99
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]amino]propan-1-ol
CID 50947946
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine
CID 71690567
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]butan-1-ol
CID 91964156
2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
CID 2229253
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol
CID 117081323
2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol
CID 91966252
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline
CID 68722852
N'-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)thieno[3,2-d]pyrimidin-4-yl]propane-1,3-diamine
CID 71548940
N-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine
CID 91963759
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-propylquinazolin-4-amine
CID 144787506
4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid
CID 107853406
N-benzyl-2-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]quinazolin-4-amine
CID 166369484

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol (CID 50945732) is 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol is OCCCNc1nc(N2CCc3ccccc3C2)nc2ccccc12.
What is the InChIKey of 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol?
The InChIKey is IFOSAUWFCUXQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-13-5-11-21-19-17-8-3-4-9-18(17)22-20(23-19)24-12-10-15-6-1-2-7-16(15)14-24/h1-4,6-9,25H,5,10-14H2,(H,21,22,23).
What are the key properties of 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol?
3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol has a molecular weight of 334.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 50945732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).