2-amino-N-[[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide

C20H23N5O3 — CID 122444921

IUPAC2-amino-N-[[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3nc(C(C)(C)O)ccc3C)nc(N)nc12
InChIInChI=1S/C20H23N5O3/c1-11-8-9-15(20(2,3)27)23-13(11)10-22-18(26)17-12-6-5-7-14(28-4)16(12)24-19(21)25-17/h5-9,27H,10H2,1-4H3,(H,22,26)(H2,21,24,25)
InChIKeyXMPIJYCSTJDUJC-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.08
Rot. Bonds5

About 2-amino-N-[[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide

2-amino-N-[[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide (PubChem CID 122444921) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-amino-N-[[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
PubChem CID122444921
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-amino-N-[[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3nc(C(C)(C)O)ccc3C)nc(N)nc12
InChIInChI=1S/C20H23N5O3/c1-11-8-9-15(20(2,3)27)23-13(11)10-22-18(26)17-12-6-5-7-14(28-4)16(12)24-19(21)25-17/h5-9,27H,10H2,1-4H3,(H,22,26)(H2,21,24,25)
InChIKeyXMPIJYCSTJDUJC-UHFFFAOYSA-N
XLogP2.08
TPSA123.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.08
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)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide (CID 122444921) is 2-amino-N-[[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide is COc1cccc2c(C(=O)NCc3nc(C(C)(C)O)ccc3C)nc(N)nc12.
What is the InChIKey of 2-amino-N-[[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide?
The InChIKey is XMPIJYCSTJDUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-11-8-9-15(20(2,3)27)23-13(11)10-22-18(26)17-12-6-5-7-14(28-4)16(12)24-19(21)25-17/h5-9,27H,10H2,1-4H3,(H,22,26)(H2,21,24,25).
What are the key properties of 2-amino-N-[[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide?
2-amino-N-[[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.08, 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)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide is sourced from PubChem (CID 122444921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).