4-(cyclopropylmethyl)-1,4-dihydroquinazoline

C12H14N2 — CID 54550725

IUPAC4-(cyclopropylmethyl)-1,4-dihydroquinazoline
SMILESC1=NC(CC2CC2)c2ccccc2N1
InChIInChI=1S/C12H14N2/c1-2-4-11-10(3-1)12(14-8-13-11)7-9-5-6-9/h1-4,8-9,12H,5-7H2,(H,13,14)
InChIKeyZJSFOAZRTUZQSX-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.98
Rot. Bonds2

About 4-(cyclopropylmethyl)-1,4-dihydroquinazoline

4-(cyclopropylmethyl)-1,4-dihydroquinazoline (PubChem CID 54550725) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1,4-dihydroquinazoline.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1,4-dihydroquinazoline
PubChem CID54550725
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-(cyclopropylmethyl)-1,4-dihydroquinazoline
SMILESC1=NC(CC2CC2)c2ccccc2N1
InChIInChI=1S/C12H14N2/c1-2-4-11-10(3-1)12(14-8-13-11)7-9-5-6-9/h1-4,8-9,12H,5-7H2,(H,13,14)
InChIKeyZJSFOAZRTUZQSX-UHFFFAOYSA-N
XLogP2.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1,4-dihydroquinazoline?
The IUPAC name of 4-(cyclopropylmethyl)-1,4-dihydroquinazoline (CID 54550725) is 4-(cyclopropylmethyl)-1,4-dihydroquinazoline.
What is the SMILES notation for 4-(cyclopropylmethyl)-1,4-dihydroquinazoline?
The canonical SMILES for 4-(cyclopropylmethyl)-1,4-dihydroquinazoline is C1=NC(CC2CC2)c2ccccc2N1.
What is the InChIKey of 4-(cyclopropylmethyl)-1,4-dihydroquinazoline?
The InChIKey is ZJSFOAZRTUZQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-4-11-10(3-1)12(14-8-13-11)7-9-5-6-9/h1-4,8-9,12H,5-7H2,(H,13,14).
What are the key properties of 4-(cyclopropylmethyl)-1,4-dihydroquinazoline?
4-(cyclopropylmethyl)-1,4-dihydroquinazoline has a molecular weight of 186.26 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1,4-dihydroquinazoline is sourced from PubChem (CID 54550725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).