(1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol

C26H25ClN6O3 — CID 67433876

IUPAC(1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol
SMILESC[C@@H](O)C1(C)CN=C(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O1
InChIInChI=1S/C26H25ClN6O3/c1-16(34)26(2)14-29-25(36-26)33-17-6-8-22-20(11-17)24(31-15-30-22)32-18-7-9-23(21(27)12-18)35-13-19-5-3-4-10-28-19/h3-12,15-16,34H,13-14H2,1-2H3,(H,29,33)(H,30,31,32)/t16-,26?/m1/s1
InChIKeyNOUZOQPYJWIZLS-DIERRCTGSA-N
MW504.98 g/mol
LogP4.94
Rot. Bonds7

About (1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol

(1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol (PubChem CID 67433876) has the molecular formula C26H25ClN6O3 and a molecular weight of 504.98 g/mol. Its IUPAC name is (1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol
PubChem CID67433876
Molecular FormulaC26H25ClN6O3
Molecular Weight504.98 g/mol
Exact Mass504.17
IUPAC Name(1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol
SMILESC[C@@H](O)C1(C)CN=C(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O1
InChIInChI=1S/C26H25ClN6O3/c1-16(34)26(2)14-29-25(36-26)33-17-6-8-22-20(11-17)24(31-15-30-22)32-18-7-9-23(21(27)12-18)35-13-19-5-3-4-10-28-19/h3-12,15-16,34H,13-14H2,1-2H3,(H,29,33)(H,30,31,32)/t16-,26?/m1/s1
InChIKeyNOUZOQPYJWIZLS-DIERRCTGSA-N
XLogP4.94
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.98
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[(5S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol
CID 59835194
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1,8-dioxa-3-azaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine
CID 159117779
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide
CID 11554402
(2S)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-2-carboxamide
CID 11518265
6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine
CID 59988534
(2S)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-1-methylpyrrolidine-2-carboxamide
CID 11496823
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-7-fluoroquinazolin-4-amine
CID 141145307
(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanamide
CID 11568615
5-[(2R)-2-aminopropoxy]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine
CID 69058267
tert-butyl 3-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]oxyazetidine-1-carboxylate
CID 69491695
(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-[methyl(2-methylsulfonylethyl)amino]but-2-enamide
CID 50939980
methyl (2S)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanoate
CID 86615532

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol?
The IUPAC name of (1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol (CID 67433876) is (1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol?
The canonical SMILES for (1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol is C[C@@H](O)C1(C)CN=C(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O1.
What is the InChIKey of (1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol?
The InChIKey is NOUZOQPYJWIZLS-DIERRCTGSA-N. The full InChI is InChI=1S/C26H25ClN6O3/c1-16(34)26(2)14-29-25(36-26)33-17-6-8-22-20(11-17)24(31-15-30-22)32-18-7-9-23(21(27)12-18)35-13-19-5-3-4-10-28-19/h3-12,15-16,34H,13-14H2,1-2H3,(H,29,33)(H,30,31,32)/t16-,26?/m1/s1.
What are the key properties of (1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol?
(1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol has a molecular weight of 504.98 g/mol, XLogP of 4.94, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol is sourced from PubChem (CID 67433876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).