(2R)-2-[4-[3-chloro-4-(piperidine-1-carbonyl)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylpropanamide

C26H30ClN5O4 — CID 16665406

IUPAC(2R)-2-[4-[3-chloro-4-(piperidine-1-carbonyl)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylpropanamide
SMILESC[C@@H](Oc1cccc2ncnc(Nc3ccc(C(=O)N4CCCCC4)c(Cl)c3)c12)C(=O)N(C)CCO
InChIInChI=1S/C26H30ClN5O4/c1-17(25(34)31(2)13-14-33)36-22-8-6-7-21-23(22)24(29-16-28-21)30-18-9-10-19(20(27)15-18)26(35)32-11-4-3-5-12-32/h6-10,15-17,33H,3-5,11-14H2,1-2H3,(H,28,29,30)/t17-/m1/s1
InChIKeySBIWQAVWHDHFHQ-QGZVFWFLSA-N
MW512.01 g/mol
LogP3.87
Rot. Bonds8

About (2R)-2-[4-[3-chloro-4-(piperidine-1-carbonyl)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylpropanamide

(2R)-2-[4-[3-chloro-4-(piperidine-1-carbonyl)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylpropanamide (PubChem CID 16665406) has the molecular formula C26H30ClN5O4 and a molecular weight of 512.01 g/mol. Its IUPAC name is (2R)-2-[4-[3-chloro-4-(piperidine-1-carbonyl)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[3-chloro-4-(piperidine-1-carbonyl)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylpropanamide
PubChem CID16665406
Molecular FormulaC26H30ClN5O4
Molecular Weight512.01 g/mol
Exact Mass511.20
IUPAC Name(2R)-2-[4-[3-chloro-4-(piperidine-1-carbonyl)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylpropanamide
SMILESC[C@@H](Oc1cccc2ncnc(Nc3ccc(C(=O)N4CCCCC4)c(Cl)c3)c12)C(=O)N(C)CCO
InChIInChI=1S/C26H30ClN5O4/c1-17(25(34)31(2)13-14-33)36-22-8-6-7-21-23(22)24(29-16-28-21)30-18-9-10-19(20(27)15-18)26(35)32-11-4-3-5-12-32/h6-10,15-17,33H,3-5,11-14H2,1-2H3,(H,28,29,30)/t17-/m1/s1
InChIKeySBIWQAVWHDHFHQ-QGZVFWFLSA-N
XLogP3.87
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.01
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[4-[3-chloro-4-(piperidine-1-carbonyl)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylpropanamide with MolForge

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Related Compounds

(2R)-2-[4-[3-chloro-4-(pyrrolidine-1-carbonyl)anilino]quinazolin-5-yl]oxy-3-methylbutanamide
CID 68956033
2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 69491523
azepan-1-yl-[2-chloro-4-[[7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]amino]phenyl]methanone;hydrochloride
CID 68889068
azepan-1-yl-[2-ethynyl-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]amino]phenyl]methanone
CID 86596659
1-[(2R)-2-[1-[4-(3-chloro-4-hydroxyanilino)quinazolin-5-yl]oxyethyl]pyrrolidin-1-yl]-2-hydroxyethanone
CID 90962600
methyl (2S)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanoate
CID 86615532
(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanamide
CID 11568615
(2S)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 11713346
2-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]quinazolin-5-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 68619614
N,N-dimethyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
CID 73070143
3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide
CID 120500534
N-[2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]-N,1-dimethylpyrrolidine-2-carboxamide
CID 11168785

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[3-chloro-4-(piperidine-1-carbonyl)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylpropanamide?
The IUPAC name of (2R)-2-[4-[3-chloro-4-(piperidine-1-carbonyl)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylpropanamide (CID 16665406) is (2R)-2-[4-[3-chloro-4-(piperidine-1-carbonyl)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[4-[3-chloro-4-(piperidine-1-carbonyl)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylpropanamide?
The canonical SMILES for (2R)-2-[4-[3-chloro-4-(piperidine-1-carbonyl)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylpropanamide is C[C@@H](Oc1cccc2ncnc(Nc3ccc(C(=O)N4CCCCC4)c(Cl)c3)c12)C(=O)N(C)CCO.
What is the InChIKey of (2R)-2-[4-[3-chloro-4-(piperidine-1-carbonyl)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylpropanamide?
The InChIKey is SBIWQAVWHDHFHQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H30ClN5O4/c1-17(25(34)31(2)13-14-33)36-22-8-6-7-21-23(22)24(29-16-28-21)30-18-9-10-19(20(27)15-18)26(35)32-11-4-3-5-12-32/h6-10,15-17,33H,3-5,11-14H2,1-2H3,(H,28,29,30)/t17-/m1/s1.
What are the key properties of (2R)-2-[4-[3-chloro-4-(piperidine-1-carbonyl)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylpropanamide?
(2R)-2-[4-[3-chloro-4-(piperidine-1-carbonyl)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylpropanamide has a molecular weight of 512.01 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[3-chloro-4-(piperidine-1-carbonyl)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylpropanamide is sourced from PubChem (CID 16665406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).