methyl 2-(cyclopropylmethylamino)-5-fluoroquinazoline-7-carboxylate

C14H14FN3O2 — CID 71247816

IUPACmethyl 2-(cyclopropylmethylamino)-5-fluoroquinazoline-7-carboxylate
SMILESCOC(=O)c1cc(F)c2cnc(NCC3CC3)nc2c1
InChIInChI=1S/C14H14FN3O2/c1-20-13(19)9-4-11(15)10-7-17-14(18-12(10)5-9)16-6-8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,16,17,18)
InChIKeyZKNMIKLLNZAZMJ-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.38
Rot. Bonds4

About methyl 2-(cyclopropylmethylamino)-5-fluoroquinazoline-7-carboxylate

methyl 2-(cyclopropylmethylamino)-5-fluoroquinazoline-7-carboxylate (PubChem CID 71247816) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 2-(cyclopropylmethylamino)-5-fluoroquinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylmethylamino)-5-fluoroquinazoline-7-carboxylate
PubChem CID71247816
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Namemethyl 2-(cyclopropylmethylamino)-5-fluoroquinazoline-7-carboxylate
SMILESCOC(=O)c1cc(F)c2cnc(NCC3CC3)nc2c1
InChIInChI=1S/C14H14FN3O2/c1-20-13(19)9-4-11(15)10-7-17-14(18-12(10)5-9)16-6-8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,16,17,18)
InChIKeyZKNMIKLLNZAZMJ-UHFFFAOYSA-N
XLogP2.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-4-(cyclopropylmethylamino)-5-fluorobenzoate
CID 166524679
methyl 3-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]-4-fluorobenzoate
CID 133449615
methyl 4-butoxy-3,5-difluorobenzoate
CID 118685930
4-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525747
methyl 4-fluoro-2-methylindazole-6-carboxylate
CID 121231598
2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181809
methyl 3-fluoro-4-(methoxymethoxy)-5-methylbenzoate
CID 58629751
ethane;methyl 3-chloro-8-fluoroquinoline-6-carboxylate
CID 145002118
methyl 4-(difluoromethoxy)-3,5-difluorobenzoate
CID 134648316
methyl 3,5-difluoro-4-methylbenzoate
CID 91655032
methyl 3-(2-cyclopentylacetyl)oxy-5-fluoro-4-methylbenzoate
CID 75437429
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 131929255

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylmethylamino)-5-fluoroquinazoline-7-carboxylate?
The IUPAC name of methyl 2-(cyclopropylmethylamino)-5-fluoroquinazoline-7-carboxylate (CID 71247816) is methyl 2-(cyclopropylmethylamino)-5-fluoroquinazoline-7-carboxylate.
What is the SMILES notation for methyl 2-(cyclopropylmethylamino)-5-fluoroquinazoline-7-carboxylate?
The canonical SMILES for methyl 2-(cyclopropylmethylamino)-5-fluoroquinazoline-7-carboxylate is COC(=O)c1cc(F)c2cnc(NCC3CC3)nc2c1.
What is the InChIKey of methyl 2-(cyclopropylmethylamino)-5-fluoroquinazoline-7-carboxylate?
The InChIKey is ZKNMIKLLNZAZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-20-13(19)9-4-11(15)10-7-17-14(18-12(10)5-9)16-6-8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,16,17,18).
What are the key properties of methyl 2-(cyclopropylmethylamino)-5-fluoroquinazoline-7-carboxylate?
methyl 2-(cyclopropylmethylamino)-5-fluoroquinazoline-7-carboxylate has a molecular weight of 275.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylmethylamino)-5-fluoroquinazoline-7-carboxylate is sourced from PubChem (CID 71247816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).