(2R)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide

C26H25FN6O2 — CID 164514608

IUPAC(2R)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)c1ccc(Nc2ncc3cc(F)c(-c4cnc5c(c4C)NCCO5)cc3n2)cc1
InChIInChI=1S/C26H25FN6O2/c1-14(24(34)28-3)16-4-6-18(7-5-16)32-26-31-12-17-10-21(27)19(11-22(17)33-26)20-13-30-25-23(15(20)2)29-8-9-35-25/h4-7,10-14,29H,8-9H2,1-3H3,(H,28,34)(H,31,32,33)/t14-/m1/s1
InChIKeyQHNKLMYMQGIANQ-CQSZACIVSA-N
MW472.52 g/mol
LogP4.54
Rot. Bonds5

About (2R)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide

(2R)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide (PubChem CID 164514608) has the molecular formula C26H25FN6O2 and a molecular weight of 472.52 g/mol. Its IUPAC name is (2R)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide
PubChem CID164514608
Molecular FormulaC26H25FN6O2
Molecular Weight472.52 g/mol
Exact Mass472.20
IUPAC Name(2R)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)c1ccc(Nc2ncc3cc(F)c(-c4cnc5c(c4C)NCCO5)cc3n2)cc1
InChIInChI=1S/C26H25FN6O2/c1-14(24(34)28-3)16-4-6-18(7-5-16)32-26-31-12-17-10-21(27)19(11-22(17)33-26)20-13-30-25-23(15(20)2)29-8-9-35-25/h4-7,10-14,29H,8-9H2,1-3H3,(H,28,34)(H,31,32,33)/t14-/m1/s1
InChIKeyQHNKLMYMQGIANQ-CQSZACIVSA-N
XLogP4.54
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide?
The IUPAC name of (2R)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide (CID 164514608) is (2R)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide is CNC(=O)[C@H](C)c1ccc(Nc2ncc3cc(F)c(-c4cnc5c(c4C)NCCO5)cc3n2)cc1.
What is the InChIKey of (2R)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide?
The InChIKey is QHNKLMYMQGIANQ-CQSZACIVSA-N. The full InChI is InChI=1S/C26H25FN6O2/c1-14(24(34)28-3)16-4-6-18(7-5-16)32-26-31-12-17-10-21(27)19(11-22(17)33-26)20-13-30-25-23(15(20)2)29-8-9-35-25/h4-7,10-14,29H,8-9H2,1-3H3,(H,28,34)(H,31,32,33)/t14-/m1/s1.
What are the key properties of (2R)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide?
(2R)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide has a molecular weight of 472.52 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide is sourced from PubChem (CID 164514608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).