2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide

C21H19N5O3 — CID 122485233

IUPAC2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)N[C@@H](CO)c3ccc4ccccc4n3)nc(N)nc12
InChIInChI=1S/C21H19N5O3/c1-29-17-8-4-6-13-18(17)25-21(22)26-19(13)20(28)24-16(11-27)15-10-9-12-5-2-3-7-14(12)23-15/h2-10,16,27H,11H2,1H3,(H,24,28)(H2,22,25,26)/t16-/m0/s1
InChIKeyBSINCHJNBYSRKK-INIZCTEOSA-N
MW389.42 g/mol
LogP2.23
Rot. Bonds5

About 2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide

2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide (PubChem CID 122485233) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide
PubChem CID122485233
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)N[C@@H](CO)c3ccc4ccccc4n3)nc(N)nc12
InChIInChI=1S/C21H19N5O3/c1-29-17-8-4-6-13-18(17)25-21(22)26-19(13)20(28)24-16(11-27)15-10-9-12-5-2-3-7-14(12)23-15/h2-10,16,27H,11H2,1H3,(H,24,28)(H2,22,25,26)/t16-/m0/s1
InChIKeyBSINCHJNBYSRKK-INIZCTEOSA-N
XLogP2.23
TPSA123.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide (CID 122485233) is 2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide is COc1cccc2c(C(=O)N[C@@H](CO)c3ccc4ccccc4n3)nc(N)nc12.
What is the InChIKey of 2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide?
The InChIKey is BSINCHJNBYSRKK-INIZCTEOSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-29-17-8-4-6-13-18(17)25-21(22)26-19(13)20(28)24-16(11-27)15-10-9-12-5-2-3-7-14(12)23-15/h2-10,16,27H,11H2,1H3,(H,24,28)(H2,22,25,26)/t16-/m0/s1.
What are the key properties of 2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide?
2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide is sourced from PubChem (CID 122485233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).