2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide

C19H21N5O3 — CID 91864603

IUPAC2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(C(C)(C)O)n3)nc(N)nc12
InChIInChI=1S/C19H21N5O3/c1-19(2,26)14-9-4-6-11(22-14)10-21-17(25)16-12-7-5-8-13(27-3)15(12)23-18(20)24-16/h4-9,26H,10H2,1-3H3,(H,21,25)(H2,20,23,24)
InChIKeyYSQYIDLYPHAUDH-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.77
Rot. Bonds5

About 2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide

2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide (PubChem CID 91864603) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
PubChem CID91864603
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(C(C)(C)O)n3)nc(N)nc12
InChIInChI=1S/C19H21N5O3/c1-19(2,26)14-9-4-6-11(22-14)10-21-17(25)16-12-7-5-8-13(27-3)15(12)23-18(20)24-16/h4-9,26H,10H2,1-3H3,(H,21,25)(H2,20,23,24)
InChIKeyYSQYIDLYPHAUDH-UHFFFAOYSA-N
XLogP1.77
TPSA123.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide (CID 91864603) is 2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide is COc1cccc2c(C(=O)NCc3cccc(C(C)(C)O)n3)nc(N)nc12.
What is the InChIKey of 2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide?
The InChIKey is YSQYIDLYPHAUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-19(2,26)14-9-4-6-11(22-14)10-21-17(25)16-12-7-5-8-13(27-3)15(12)23-18(20)24-16/h4-9,26H,10H2,1-3H3,(H,21,25)(H2,20,23,24).
What are the key properties of 2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide?
2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide is sourced from PubChem (CID 91864603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).