(3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide

C14H19N5O3 — CID 174215466

IUPAC(3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide
SMILESCC[C@@H](O)CC(=O)N(N)c1nc(N)nc2c(OC)cccc12
InChIInChI=1S/C14H19N5O3/c1-3-8(20)7-11(21)19(16)13-9-5-4-6-10(22-2)12(9)17-14(15)18-13/h4-6,8,20H,3,7,16H2,1-2H3,(H2,15,17,18)/t8-/m1/s1
InChIKeyJJPGKRYYJJLTAJ-MRVPVSSYSA-N
MW305.34 g/mol
LogP0.59
Rot. Bonds5

About (3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide

(3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide (PubChem CID 174215466) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is (3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide.

Molecular Properties

Compound Name(3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide
PubChem CID174215466
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name(3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide
SMILESCC[C@@H](O)CC(=O)N(N)c1nc(N)nc2c(OC)cccc12
InChIInChI=1S/C14H19N5O3/c1-3-8(20)7-11(21)19(16)13-9-5-4-6-10(22-2)12(9)17-14(15)18-13/h4-6,8,20H,3,7,16H2,1-2H3,(H2,15,17,18)/t8-/m1/s1
InChIKeyJJPGKRYYJJLTAJ-MRVPVSSYSA-N
XLogP0.59
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide?
The IUPAC name of (3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide (CID 174215466) is (3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide.
What is the SMILES notation for (3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide?
The canonical SMILES for (3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide is CC[C@@H](O)CC(=O)N(N)c1nc(N)nc2c(OC)cccc12.
What is the InChIKey of (3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide?
The InChIKey is JJPGKRYYJJLTAJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-3-8(20)7-11(21)19(16)13-9-5-4-6-10(22-2)12(9)17-14(15)18-13/h4-6,8,20H,3,7,16H2,1-2H3,(H2,15,17,18)/t8-/m1/s1.
What are the key properties of (3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide?
(3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide has a molecular weight of 305.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide is sourced from PubChem (CID 174215466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).