(3R,4R)-4-[4-(2-amino-6-chloroquinazolin-7-yl)piperazin-1-yl]oxolan-3-ol

C16H20ClN5O2 — CID 162748114

IUPAC(3R,4R)-4-[4-(2-amino-6-chloroquinazolin-7-yl)piperazin-1-yl]oxolan-3-ol
SMILESNc1ncc2cc(Cl)c(N3CCN([C@@H]4COC[C@@H]4O)CC3)cc2n1
InChIInChI=1S/C16H20ClN5O2/c17-11-5-10-7-19-16(18)20-12(10)6-13(11)21-1-3-22(4-2-21)14-8-24-9-15(14)23/h5-7,14-15,23H,1-4,8-9H2,(H2,18,19,20)/t14-,15+/m1/s1
InChIKeyIRBZONAIERHXJL-CABCVRRESA-N
MW349.82 g/mol
LogP0.75
Rot. Bonds2

About (3R,4R)-4-[4-(2-amino-6-chloroquinazolin-7-yl)piperazin-1-yl]oxolan-3-ol

(3R,4R)-4-[4-(2-amino-6-chloroquinazolin-7-yl)piperazin-1-yl]oxolan-3-ol (PubChem CID 162748114) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is (3R,4R)-4-[4-(2-amino-6-chloroquinazolin-7-yl)piperazin-1-yl]oxolan-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[4-(2-amino-6-chloroquinazolin-7-yl)piperazin-1-yl]oxolan-3-ol
PubChem CID162748114
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name(3R,4R)-4-[4-(2-amino-6-chloroquinazolin-7-yl)piperazin-1-yl]oxolan-3-ol
SMILESNc1ncc2cc(Cl)c(N3CCN([C@@H]4COC[C@@H]4O)CC3)cc2n1
InChIInChI=1S/C16H20ClN5O2/c17-11-5-10-7-19-16(18)20-12(10)6-13(11)21-1-3-22(4-2-21)14-8-24-9-15(14)23/h5-7,14-15,23H,1-4,8-9H2,(H2,18,19,20)/t14-,15+/m1/s1
InChIKeyIRBZONAIERHXJL-CABCVRRESA-N
XLogP0.75
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R,4R)-4-[4-(2-amino-6-chloroquinazolin-7-yl)piperazin-1-yl]oxolan-3-ol 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

N-[7-chloro-6-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]piperazin-1-yl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 163277481
6,7-dichloroquinazolin-2-amine
CID 611660
(3S,4S)-4-[4-[6-chloro-2-[(5-chloro-1H-pyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]oxolan-3-ol
CID 156730652
N-[7-chloro-6-[1-[(3R,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 172536526
7-chloro-6-[4-[(4R)-4-fluoro-3-methyloxolan-3-yl]piperazin-1-yl]isoquinolin-3-amine
CID 163277704
(4R)-4-[4-[6-chloro-2-[[1-cyclopropyl-5-(difluoromethyl)pyrazol-4-yl]amino]quinazolin-7-yl]piperazin-1-yl]-4-methyloxolan-3-ol
CID 162748023
(3R)-4-[4-[2-[[1-(1-bicyclo[1.1.1]pentanyl)-5-methylpyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]piperidin-1-yl]oxolan-3-ol
CID 167326481
6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine
CID 162747854
2-[4-[[6-chloro-7-[1-[(3R,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]quinazolin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 167326498
(3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol
CID 126846710
4-[(4S)-4-[6-chloro-2-[[5-chloro-1-(2,2-difluorocyclopropyl)pyrazol-4-yl]amino]quinazolin-7-yl]-3-fluoropiperidin-1-yl]oxolan-3-ol
CID 167326763
(3R,4R)-4-[(3S,4S)-4-[6-chloro-2-[[5-chloro-1-[(1S)-2,2-difluorocyclopropyl]pyrazol-4-yl]amino]quinazolin-7-yl]-3-fluoropiperidin-1-yl]oxolan-3-ol
CID 163196434

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[4-(2-amino-6-chloroquinazolin-7-yl)piperazin-1-yl]oxolan-3-ol?
The IUPAC name of (3R,4R)-4-[4-(2-amino-6-chloroquinazolin-7-yl)piperazin-1-yl]oxolan-3-ol (CID 162748114) is (3R,4R)-4-[4-(2-amino-6-chloroquinazolin-7-yl)piperazin-1-yl]oxolan-3-ol.
What is the SMILES notation for (3R,4R)-4-[4-(2-amino-6-chloroquinazolin-7-yl)piperazin-1-yl]oxolan-3-ol?
The canonical SMILES for (3R,4R)-4-[4-(2-amino-6-chloroquinazolin-7-yl)piperazin-1-yl]oxolan-3-ol is Nc1ncc2cc(Cl)c(N3CCN([C@@H]4COC[C@@H]4O)CC3)cc2n1.
What is the InChIKey of (3R,4R)-4-[4-(2-amino-6-chloroquinazolin-7-yl)piperazin-1-yl]oxolan-3-ol?
The InChIKey is IRBZONAIERHXJL-CABCVRRESA-N. The full InChI is InChI=1S/C16H20ClN5O2/c17-11-5-10-7-19-16(18)20-12(10)6-13(11)21-1-3-22(4-2-21)14-8-24-9-15(14)23/h5-7,14-15,23H,1-4,8-9H2,(H2,18,19,20)/t14-,15+/m1/s1.
What are the key properties of (3R,4R)-4-[4-(2-amino-6-chloroquinazolin-7-yl)piperazin-1-yl]oxolan-3-ol?
(3R,4R)-4-[4-(2-amino-6-chloroquinazolin-7-yl)piperazin-1-yl]oxolan-3-ol has a molecular weight of 349.82 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[4-(2-amino-6-chloroquinazolin-7-yl)piperazin-1-yl]oxolan-3-ol is sourced from PubChem (CID 162748114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).