4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline

C14H19ClN2O — CID 80690540

IUPAC4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline
SMILESCC1(c2nc(Cl)c3c(n2)CCCC3)CCCCO1
InChIInChI=1S/C14H19ClN2O/c1-14(8-4-5-9-18-14)13-16-11-7-3-2-6-10(11)12(15)17-13/h2-9H2,1H3
InChIKeyZPOLIVWQRPGASR-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.42
Rot. Bonds1

About 4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline

4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 80690540) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline
PubChem CID80690540
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline
SMILESCC1(c2nc(Cl)c3c(n2)CCCC3)CCCCO1
InChIInChI=1S/C14H19ClN2O/c1-14(8-4-5-9-18-14)13-16-11-7-3-2-6-10(11)12(15)17-13/h2-9H2,1H3
InChIKeyZPOLIVWQRPGASR-UHFFFAOYSA-N
XLogP3.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline (CID 80690540) is 4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline is CC1(c2nc(Cl)c3c(n2)CCCC3)CCCCO1.
What is the InChIKey of 4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is ZPOLIVWQRPGASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-14(8-4-5-9-18-14)13-16-11-7-3-2-6-10(11)12(15)17-13/h2-9H2,1H3.
What are the key properties of 4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline?
4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 266.77 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 80690540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).