[cyclopropyl-[8-fluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]methyl]carbamic acid

C16H14FN5O3 — CID 118575953

IUPAC[cyclopropyl-[8-fluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]methyl]carbamic acid
SMILESO=C(O)NC(c1nc2c(F)cccc2c(=O)n1-c1ccn[nH]1)C1CC1
InChIInChI=1S/C16H14FN5O3/c17-10-3-1-2-9-13(10)19-14(12(8-4-5-8)20-16(24)25)22(15(9)23)11-6-7-18-21-11/h1-3,6-8,12,20H,4-5H2,(H,18,21)(H,24,25)
InChIKeyWQQNJZFTHWMJQH-UHFFFAOYSA-N
MW343.32 g/mol
LogP1.97
Rot. Bonds4

About [cyclopropyl-[8-fluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]methyl]carbamic acid

[cyclopropyl-[8-fluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]methyl]carbamic acid (PubChem CID 118575953) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is [cyclopropyl-[8-fluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]methyl]carbamic acid.

Molecular Properties

Compound Name[cyclopropyl-[8-fluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]methyl]carbamic acid
PubChem CID118575953
Molecular FormulaC16H14FN5O3
Molecular Weight343.32 g/mol
Exact Mass343.11
IUPAC Name[cyclopropyl-[8-fluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]methyl]carbamic acid
SMILESO=C(O)NC(c1nc2c(F)cccc2c(=O)n1-c1ccn[nH]1)C1CC1
InChIInChI=1S/C16H14FN5O3/c17-10-3-1-2-9-13(10)19-14(12(8-4-5-8)20-16(24)25)22(15(9)23)11-6-7-18-21-11/h1-3,6-8,12,20H,4-5H2,(H,18,21)(H,24,25)
InChIKeyWQQNJZFTHWMJQH-UHFFFAOYSA-N
XLogP1.97
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [cyclopropyl-[8-fluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]methyl]carbamic acid?
The IUPAC name of [cyclopropyl-[8-fluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]methyl]carbamic acid (CID 118575953) is [cyclopropyl-[8-fluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]methyl]carbamic acid.
What is the SMILES notation for [cyclopropyl-[8-fluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]methyl]carbamic acid?
The canonical SMILES for [cyclopropyl-[8-fluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]methyl]carbamic acid is O=C(O)NC(c1nc2c(F)cccc2c(=O)n1-c1ccn[nH]1)C1CC1.
What is the InChIKey of [cyclopropyl-[8-fluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]methyl]carbamic acid?
The InChIKey is WQQNJZFTHWMJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3/c17-10-3-1-2-9-13(10)19-14(12(8-4-5-8)20-16(24)25)22(15(9)23)11-6-7-18-21-11/h1-3,6-8,12,20H,4-5H2,(H,18,21)(H,24,25).
What are the key properties of [cyclopropyl-[8-fluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]methyl]carbamic acid?
[cyclopropyl-[8-fluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]methyl]carbamic acid has a molecular weight of 343.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopropyl-[8-fluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]methyl]carbamic acid is sourced from PubChem (CID 118575953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).