(2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide

C27H29N5O4 — CID 11598297

IUPAC(2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
SMILESCc1ccc(Oc2ccc(Nc3ncnc4cccc(O[C@H](C)C(=O)NCCCO)c34)cc2C)cn1
InChIInChI=1S/C27H29N5O4/c1-17-14-20(9-11-23(17)36-21-10-8-18(2)29-15-21)32-26-25-22(30-16-31-26)6-4-7-24(25)35-19(3)27(34)28-12-5-13-33/h4,6-11,14-16,19,33H,5,12-13H2,1-3H3,(H,28,34)(H,30,31,32)/t19-/m1/s1
InChIKeyUHNGQLQIXXAYRV-LJQANCHMSA-N
MW487.56 g/mol
LogP4.44
Rot. Bonds10

About (2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide

(2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide (PubChem CID 11598297) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is (2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
PubChem CID11598297
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name(2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
SMILESCc1ccc(Oc2ccc(Nc3ncnc4cccc(O[C@H](C)C(=O)NCCCO)c34)cc2C)cn1
InChIInChI=1S/C27H29N5O4/c1-17-14-20(9-11-23(17)36-21-10-8-18(2)29-15-21)32-26-25-22(30-16-31-26)6-4-7-24(25)35-19(3)27(34)28-12-5-13-33/h4,6-11,14-16,19,33H,5,12-13H2,1-3H3,(H,28,34)(H,30,31,32)/t19-/m1/s1
InChIKeyUHNGQLQIXXAYRV-LJQANCHMSA-N
XLogP4.44
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(2S)-2-hydroxypropyl]-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
CID 11663125
5-hydroxy-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypentanamide
CID 90981522
N,N-dimethyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
CID 73070143
2-hydroxy-N-[2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyethyl]propanamide
CID 91117359
[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl] propanoate
CID 90891540
(2S)-1-(3-hydroxypyrrolidin-1-yl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropan-1-one
CID 69490284
2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide
CID 69461106
methyl (2R)-2-[4-[3-methyl-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanoate
CID 86615536
5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide
CID 162431826
1-[(2S)-2-[[4-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]-2-hydroxyethanone
CID 69025146
6-chloro-5-methyl-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 59453247
(E)-3-[4-(ethylamino)-6-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]pyrimidin-5-yl]-2-methylprop-2-enoic acid
CID 143529765

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide?
The IUPAC name of (2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide (CID 11598297) is (2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide.
What is the SMILES notation for (2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide?
The canonical SMILES for (2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide is Cc1ccc(Oc2ccc(Nc3ncnc4cccc(O[C@H](C)C(=O)NCCCO)c34)cc2C)cn1.
What is the InChIKey of (2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide?
The InChIKey is UHNGQLQIXXAYRV-LJQANCHMSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-17-14-20(9-11-23(17)36-21-10-8-18(2)29-15-21)32-26-25-22(30-16-31-26)6-4-7-24(25)35-19(3)27(34)28-12-5-13-33/h4,6-11,14-16,19,33H,5,12-13H2,1-3H3,(H,28,34)(H,30,31,32)/t19-/m1/s1.
What are the key properties of (2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide?
(2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide has a molecular weight of 487.56 g/mol, XLogP of 4.44, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide is sourced from PubChem (CID 11598297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).