2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium

C15H23N4O+ — CID 6984824

IUPAC2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium
SMILESC[C@H](O)CNc1nc(CC[NH+](C)C)nc2ccccc12
InChIInChI=1S/C15H22N4O/c1-11(20)10-16-15-12-6-4-5-7-13(12)17-14(18-15)8-9-19(2)3/h4-7,11,20H,8-10H2,1-3H3,(H,16,17,18)/p+1/t11-/m0/s1
InChIKeyZINDSACAYOQXPC-NSHDSACASA-O
MW275.38 g/mol
LogP0.11
Rot. Bonds6

About 2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium

2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium (PubChem CID 6984824) has the molecular formula C15H23N4O+ and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium
PubChem CID6984824
Molecular FormulaC15H23N4O+
Molecular Weight275.38 g/mol
Exact Mass275.19
IUPAC Name2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium
SMILESC[C@H](O)CNc1nc(CC[NH+](C)C)nc2ccccc12
InChIInChI=1S/C15H22N4O/c1-11(20)10-16-15-12-6-4-5-7-13(12)17-14(18-15)8-9-19(2)3/h4-7,11,20H,8-10H2,1-3H3,(H,16,17,18)/p+1/t11-/m0/s1
InChIKeyZINDSACAYOQXPC-NSHDSACASA-O
XLogP0.11
TPSA62.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium 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

(2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate
CID 6985470
(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
CID 42149810
(2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]hexanoate
CID 2061825
1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol
CID 171988229
1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol
CID 23906351
4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770158
N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 155520248
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine
CID 1414265
1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 50959469
5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol
CID 114148530
4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride
CID 20982620

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium?
The IUPAC name of 2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium (CID 6984824) is 2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium.
What is the SMILES notation for 2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium?
The canonical SMILES for 2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium is C[C@H](O)CNc1nc(CC[NH+](C)C)nc2ccccc12.
What is the InChIKey of 2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium?
The InChIKey is ZINDSACAYOQXPC-NSHDSACASA-O. The full InChI is InChI=1S/C15H22N4O/c1-11(20)10-16-15-12-6-4-5-7-13(12)17-14(18-15)8-9-19(2)3/h4-7,11,20H,8-10H2,1-3H3,(H,16,17,18)/p+1/t11-/m0/s1.
What are the key properties of 2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium?
2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium has a molecular weight of 275.38 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium is sourced from PubChem (CID 6984824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).