4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid

C14H15N3O3 — CID 115455108

IUPAC4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(NCC3(CO)CC3)ncnc2c1
InChIInChI=1S/C14H15N3O3/c18-7-14(3-4-14)6-15-12-10-2-1-9(13(19)20)5-11(10)16-8-17-12/h1-2,5,8,18H,3-4,6-7H2,(H,19,20)(H,15,16,17)
InChIKeyNVZUUVQYGCHZER-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.51
Rot. Bonds5

About 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid

4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid (PubChem CID 115455108) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid
PubChem CID115455108
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(NCC3(CO)CC3)ncnc2c1
InChIInChI=1S/C14H15N3O3/c18-7-14(3-4-14)6-15-12-10-2-1-9(13(19)20)5-11(10)16-8-17-12/h1-2,5,8,18H,3-4,6-7H2,(H,19,20)(H,15,16,17)
InChIKeyNVZUUVQYGCHZER-UHFFFAOYSA-N
XLogP1.51
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid (CID 115455108) is 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid is O=C(O)c1ccc2c(NCC3(CO)CC3)ncnc2c1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid?
The InChIKey is NVZUUVQYGCHZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-7-14(3-4-14)6-15-12-10-2-1-9(13(19)20)5-11(10)16-8-17-12/h1-2,5,8,18H,3-4,6-7H2,(H,19,20)(H,15,16,17).
What are the key properties of 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid?
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid is sourced from PubChem (CID 115455108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).