3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(pyridin-2-ylmethyl)amino]propan-1-ol

C19H23N5O3 — CID 100642766

IUPAC3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(pyridin-2-ylmethyl)amino]propan-1-ol
SMILESCOc1cc2nc(N(CCCO)Cc3ccccn3)nc(N)c2cc1OC
InChIInChI=1S/C19H23N5O3/c1-26-16-10-14-15(11-17(16)27-2)22-19(23-18(14)20)24(8-5-9-25)12-13-6-3-4-7-21-13/h3-4,6-7,10-11,25H,5,8-9,12H2,1-2H3,(H2,20,22,23)
InChIKeyLLCDQDGKJIWMJL-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.01
Rot. Bonds8

About 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(pyridin-2-ylmethyl)amino]propan-1-ol

3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(pyridin-2-ylmethyl)amino]propan-1-ol (PubChem CID 100642766) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(pyridin-2-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(pyridin-2-ylmethyl)amino]propan-1-ol
PubChem CID100642766
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(pyridin-2-ylmethyl)amino]propan-1-ol
SMILESCOc1cc2nc(N(CCCO)Cc3ccccn3)nc(N)c2cc1OC
InChIInChI=1S/C19H23N5O3/c1-26-16-10-14-15(11-17(16)27-2)22-19(23-18(14)20)24(8-5-9-25)12-13-6-3-4-7-21-13/h3-4,6-7,10-11,25H,5,8-9,12H2,1-2H3,(H2,20,22,23)
InChIKeyLLCDQDGKJIWMJL-UHFFFAOYSA-N
XLogP2.01
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(pyridin-2-ylmethyl)amino]propan-1-ol?
The IUPAC name of 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(pyridin-2-ylmethyl)amino]propan-1-ol (CID 100642766) is 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(pyridin-2-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(pyridin-2-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(pyridin-2-ylmethyl)amino]propan-1-ol is COc1cc2nc(N(CCCO)Cc3ccccn3)nc(N)c2cc1OC.
What is the InChIKey of 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(pyridin-2-ylmethyl)amino]propan-1-ol?
The InChIKey is LLCDQDGKJIWMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-26-16-10-14-15(11-17(16)27-2)22-19(23-18(14)20)24(8-5-9-25)12-13-6-3-4-7-21-13/h3-4,6-7,10-11,25H,5,8-9,12H2,1-2H3,(H2,20,22,23).
What are the key properties of 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(pyridin-2-ylmethyl)amino]propan-1-ol?
3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(pyridin-2-ylmethyl)amino]propan-1-ol has a molecular weight of 369.43 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(pyridin-2-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 100642766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).