N-[(2R,3S)-2-cyclopropyloxolan-3-yl]-7,8-dimethoxyquinazolin-4-amine

C17H21N3O3 — CID 118162572

IUPACN-[(2R,3S)-2-cyclopropyloxolan-3-yl]-7,8-dimethoxyquinazolin-4-amine
SMILESCOc1ccc2c(N[C@H]3CCO[C@@H]3C3CC3)ncnc2c1OC
InChIInChI=1S/C17H21N3O3/c1-21-13-6-5-11-14(16(13)22-2)18-9-19-17(11)20-12-7-8-23-15(12)10-3-4-10/h5-6,9-10,12,15H,3-4,7-8H2,1-2H3,(H,18,19,20)/t12-,15+/m0/s1
InChIKeyRZWCBJXWNBLCCY-SWLSCSKDSA-N
MW315.37 g/mol
LogP2.63
Rot. Bonds5

About N-[(2R,3S)-2-cyclopropyloxolan-3-yl]-7,8-dimethoxyquinazolin-4-amine

N-[(2R,3S)-2-cyclopropyloxolan-3-yl]-7,8-dimethoxyquinazolin-4-amine (PubChem CID 118162572) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(2R,3S)-2-cyclopropyloxolan-3-yl]-7,8-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2R,3S)-2-cyclopropyloxolan-3-yl]-7,8-dimethoxyquinazolin-4-amine
PubChem CID118162572
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[(2R,3S)-2-cyclopropyloxolan-3-yl]-7,8-dimethoxyquinazolin-4-amine
SMILESCOc1ccc2c(N[C@H]3CCO[C@@H]3C3CC3)ncnc2c1OC
InChIInChI=1S/C17H21N3O3/c1-21-13-6-5-11-14(16(13)22-2)18-9-19-17(11)20-12-7-8-23-15(12)10-3-4-10/h5-6,9-10,12,15H,3-4,7-8H2,1-2H3,(H,18,19,20)/t12-,15+/m0/s1
InChIKeyRZWCBJXWNBLCCY-SWLSCSKDSA-N
XLogP2.63
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-cyclopropyloxolan-3-yl]-7,8-dimethoxyquinazolin-4-amine?
The IUPAC name of N-[(2R,3S)-2-cyclopropyloxolan-3-yl]-7,8-dimethoxyquinazolin-4-amine (CID 118162572) is N-[(2R,3S)-2-cyclopropyloxolan-3-yl]-7,8-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[(2R,3S)-2-cyclopropyloxolan-3-yl]-7,8-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-[(2R,3S)-2-cyclopropyloxolan-3-yl]-7,8-dimethoxyquinazolin-4-amine is COc1ccc2c(N[C@H]3CCO[C@@H]3C3CC3)ncnc2c1OC.
What is the InChIKey of N-[(2R,3S)-2-cyclopropyloxolan-3-yl]-7,8-dimethoxyquinazolin-4-amine?
The InChIKey is RZWCBJXWNBLCCY-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-21-13-6-5-11-14(16(13)22-2)18-9-19-17(11)20-12-7-8-23-15(12)10-3-4-10/h5-6,9-10,12,15H,3-4,7-8H2,1-2H3,(H,18,19,20)/t12-,15+/m0/s1.
What are the key properties of N-[(2R,3S)-2-cyclopropyloxolan-3-yl]-7,8-dimethoxyquinazolin-4-amine?
N-[(2R,3S)-2-cyclopropyloxolan-3-yl]-7,8-dimethoxyquinazolin-4-amine has a molecular weight of 315.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-cyclopropyloxolan-3-yl]-7,8-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 118162572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).