4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline

C17H19ClN2O — CID 61382194

IUPAC4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline
SMILESCC(C)Oc1cccc(-c2nc(Cl)c3c(n2)CCCC3)c1
InChIInChI=1S/C17H19ClN2O/c1-11(2)21-13-7-5-6-12(10-13)17-19-15-9-4-3-8-14(15)16(18)20-17/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyLNYQFBFSDPZKMJ-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.46
Rot. Bonds3

About 4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline

4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 61382194) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID61382194
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline
SMILESCC(C)Oc1cccc(-c2nc(Cl)c3c(n2)CCCC3)c1
InChIInChI=1S/C17H19ClN2O/c1-11(2)21-13-7-5-6-12(10-13)17-19-15-9-4-3-8-14(15)16(18)20-17/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyLNYQFBFSDPZKMJ-UHFFFAOYSA-N
XLogP4.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline (CID 61382194) is 4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline is CC(C)Oc1cccc(-c2nc(Cl)c3c(n2)CCCC3)c1.
What is the InChIKey of 4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is LNYQFBFSDPZKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11(2)21-13-7-5-6-12(10-13)17-19-15-9-4-3-8-14(15)16(18)20-17/h5-7,10-11H,3-4,8-9H2,1-2H3.
What are the key properties of 4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline?
4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 302.81 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 61382194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).