2-(4-chloro-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylmorpholine

C13H18ClN3O — CID 79078490

IUPAC2-(4-chloro-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylmorpholine
SMILESCN1CCOC(c2nc(Cl)c3c(n2)CCCC3)C1
InChIInChI=1S/C13H18ClN3O/c1-17-6-7-18-11(8-17)13-15-10-5-3-2-4-9(10)12(14)16-13/h11H,2-8H2,1H3
InChIKeyWOZGLABBFKACPS-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.01
Rot. Bonds1

About 2-(4-chloro-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylmorpholine

2-(4-chloro-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylmorpholine (PubChem CID 79078490) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(4-chloro-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylmorpholine.

Molecular Properties

Compound Name2-(4-chloro-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylmorpholine
PubChem CID79078490
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-(4-chloro-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylmorpholine
SMILESCN1CCOC(c2nc(Cl)c3c(n2)CCCC3)C1
InChIInChI=1S/C13H18ClN3O/c1-17-6-7-18-11(8-17)13-15-10-5-3-2-4-9(10)12(14)16-13/h11H,2-8H2,1H3
InChIKeyWOZGLABBFKACPS-UHFFFAOYSA-N
XLogP2.01
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 99839249
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CID 99839250
CID 99839250
CID 103146687
CID 103146687
CID 103473538
CID 103473538
CID 103473539
CID 103473539
CID 113780666
CID 113780666
CID 126768653
CID 126768653
CID 155952172
CID 155952172
CID 155952561
CID 155952561
CID 155953106
CID 155953106

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylmorpholine?
The IUPAC name of 2-(4-chloro-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylmorpholine (CID 79078490) is 2-(4-chloro-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylmorpholine.
What is the SMILES notation for 2-(4-chloro-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylmorpholine?
The canonical SMILES for 2-(4-chloro-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylmorpholine is CN1CCOC(c2nc(Cl)c3c(n2)CCCC3)C1.
What is the InChIKey of 2-(4-chloro-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylmorpholine?
The InChIKey is WOZGLABBFKACPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-17-6-7-18-11(8-17)13-15-10-5-3-2-4-9(10)12(14)16-13/h11H,2-8H2,1H3.
What are the key properties of 2-(4-chloro-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylmorpholine?
2-(4-chloro-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylmorpholine has a molecular weight of 267.76 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylmorpholine is sourced from PubChem (CID 79078490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).