1-(5,6,7,8-tetrahydroquinazolin-4-yl)cyclopropane-1-carboxylic acid

C12H14N2O2 — CID 83859081

IUPAC1-(5,6,7,8-tetrahydroquinazolin-4-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ncnc3c2CCCC3)CC1
InChIInChI=1S/C12H14N2O2/c15-11(16)12(5-6-12)10-8-3-1-2-4-9(8)13-7-14-10/h7H,1-6H2,(H,15,16)
InChIKeyPCCJCHDGEIFCOF-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.47
Rot. Bonds2

About 1-(5,6,7,8-tetrahydroquinazolin-4-yl)cyclopropane-1-carboxylic acid

1-(5,6,7,8-tetrahydroquinazolin-4-yl)cyclopropane-1-carboxylic acid (PubChem CID 83859081) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydroquinazolin-4-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydroquinazolin-4-yl)cyclopropane-1-carboxylic acid
PubChem CID83859081
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(5,6,7,8-tetrahydroquinazolin-4-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ncnc3c2CCCC3)CC1
InChIInChI=1S/C12H14N2O2/c15-11(16)12(5-6-12)10-8-3-1-2-4-9(8)13-7-14-10/h7H,1-6H2,(H,15,16)
InChIKeyPCCJCHDGEIFCOF-UHFFFAOYSA-N
XLogP1.47
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid
CID 82414974
1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443605
1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid
CID 83858991
4-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]oxane-4-carboxylic acid
CID 115438767
[1-[(5,6,7,8-tetrahydroquinazolin-4-ylamino)methyl]cyclopentyl]methanol
CID 115360733
1-(5-bromopyrimidin-4-yl)cyclobutane-1-carboxylic acid
CID 126980275
5,6,7,8-tetrahydroquinazolin-4-amine
CID 45079028
2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid
CID 64702556
4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 23008697
4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350898
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide
CID 71962100
4-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid
CID 96609048

Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydroquinazolin-4-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5,6,7,8-tetrahydroquinazolin-4-yl)cyclopropane-1-carboxylic acid (CID 83859081) is 1-(5,6,7,8-tetrahydroquinazolin-4-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5,6,7,8-tetrahydroquinazolin-4-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5,6,7,8-tetrahydroquinazolin-4-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2ncnc3c2CCCC3)CC1.
What is the InChIKey of 1-(5,6,7,8-tetrahydroquinazolin-4-yl)cyclopropane-1-carboxylic acid?
The InChIKey is PCCJCHDGEIFCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-11(16)12(5-6-12)10-8-3-1-2-4-9(8)13-7-14-10/h7H,1-6H2,(H,15,16).
What are the key properties of 1-(5,6,7,8-tetrahydroquinazolin-4-yl)cyclopropane-1-carboxylic acid?
1-(5,6,7,8-tetrahydroquinazolin-4-yl)cyclopropane-1-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydroquinazolin-4-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83859081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).