(2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine

C19H28N4O2 — CID 155128602

IUPAC(2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine
SMILESCC[C@H](CN)C1CCN(c2ncnc3cc(OC)c(OC)cc23)CC1
InChIInChI=1S/C19H28N4O2/c1-4-13(11-20)14-5-7-23(8-6-14)19-15-9-17(24-2)18(25-3)10-16(15)21-12-22-19/h9-10,12-14H,4-8,11,20H2,1-3H3/t13-/m1/s1
InChIKeyWUXDSCOOPNNHKB-CYBMUJFWSA-N
MW344.46 g/mol
LogP2.85
Rot. Bonds6

About (2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine

(2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine (PubChem CID 155128602) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine.

Molecular Properties

Compound Name(2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine
PubChem CID155128602
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine
SMILESCC[C@H](CN)C1CCN(c2ncnc3cc(OC)c(OC)cc23)CC1
InChIInChI=1S/C19H28N4O2/c1-4-13(11-20)14-5-7-23(8-6-14)19-15-9-17(24-2)18(25-3)10-16(15)21-12-22-19/h9-10,12-14H,4-8,11,20H2,1-3H3/t13-/m1/s1
InChIKeyWUXDSCOOPNNHKB-CYBMUJFWSA-N
XLogP2.85
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine 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

6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
(2S)-2-amino-N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-methylbutanamide;dihydrochloride
CID 18607961
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane
CID 154673008
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-2-(5-methyl-1,2,6-thiadiazin-2-yl)ethanol
CID 70405131
1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea
CID 138468814
N-(difluoromethylsulfanyl)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanamine
CID 142539742
6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
CID 154575992
N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 138468581

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine?
The IUPAC name of (2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine (CID 155128602) is (2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine.
What is the SMILES notation for (2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine?
The canonical SMILES for (2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine is CC[C@H](CN)C1CCN(c2ncnc3cc(OC)c(OC)cc23)CC1.
What is the InChIKey of (2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine?
The InChIKey is WUXDSCOOPNNHKB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-13(11-20)14-5-7-23(8-6-14)19-15-9-17(24-2)18(25-3)10-16(15)21-12-22-19/h9-10,12-14H,4-8,11,20H2,1-3H3/t13-/m1/s1.
What are the key properties of (2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine?
(2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine has a molecular weight of 344.46 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine is sourced from PubChem (CID 155128602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).