4-[[(1S)-2-amino-1-phenylethyl]amino]-6-methoxyquinazoline-8-carboxamide

C18H19N5O2 — CID 46869380

IUPAC4-[[(1S)-2-amino-1-phenylethyl]amino]-6-methoxyquinazoline-8-carboxamide
SMILESCOc1cc(C(N)=O)c2ncnc(N[C@H](CN)c3ccccc3)c2c1
InChIInChI=1S/C18H19N5O2/c1-25-12-7-13(17(20)24)16-14(8-12)18(22-10-21-16)23-15(9-19)11-5-3-2-4-6-11/h2-8,10,15H,9,19H2,1H3,(H2,20,24)(H,21,22,23)/t15-/m1/s1
InChIKeyHNAFGFOVDGEYQN-OAHLLOKOSA-N
MW337.38 g/mol
LogP1.85
Rot. Bonds6

About 4-[[(1S)-2-amino-1-phenylethyl]amino]-6-methoxyquinazoline-8-carboxamide

4-[[(1S)-2-amino-1-phenylethyl]amino]-6-methoxyquinazoline-8-carboxamide (PubChem CID 46869380) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[[(1S)-2-amino-1-phenylethyl]amino]-6-methoxyquinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[(1S)-2-amino-1-phenylethyl]amino]-6-methoxyquinazoline-8-carboxamide
PubChem CID46869380
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-[[(1S)-2-amino-1-phenylethyl]amino]-6-methoxyquinazoline-8-carboxamide
SMILESCOc1cc(C(N)=O)c2ncnc(N[C@H](CN)c3ccccc3)c2c1
InChIInChI=1S/C18H19N5O2/c1-25-12-7-13(17(20)24)16-14(8-12)18(22-10-21-16)23-15(9-19)11-5-3-2-4-6-11/h2-8,10,15H,9,19H2,1H3,(H2,20,24)(H,21,22,23)/t15-/m1/s1
InChIKeyHNAFGFOVDGEYQN-OAHLLOKOSA-N
XLogP1.85
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-2-amino-1-phenylethyl]amino]-6-methoxyquinazoline-8-carboxamide?
The IUPAC name of 4-[[(1S)-2-amino-1-phenylethyl]amino]-6-methoxyquinazoline-8-carboxamide (CID 46869380) is 4-[[(1S)-2-amino-1-phenylethyl]amino]-6-methoxyquinazoline-8-carboxamide.
What is the SMILES notation for 4-[[(1S)-2-amino-1-phenylethyl]amino]-6-methoxyquinazoline-8-carboxamide?
The canonical SMILES for 4-[[(1S)-2-amino-1-phenylethyl]amino]-6-methoxyquinazoline-8-carboxamide is COc1cc(C(N)=O)c2ncnc(N[C@H](CN)c3ccccc3)c2c1.
What is the InChIKey of 4-[[(1S)-2-amino-1-phenylethyl]amino]-6-methoxyquinazoline-8-carboxamide?
The InChIKey is HNAFGFOVDGEYQN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-25-12-7-13(17(20)24)16-14(8-12)18(22-10-21-16)23-15(9-19)11-5-3-2-4-6-11/h2-8,10,15H,9,19H2,1H3,(H2,20,24)(H,21,22,23)/t15-/m1/s1.
What are the key properties of 4-[[(1S)-2-amino-1-phenylethyl]amino]-6-methoxyquinazoline-8-carboxamide?
4-[[(1S)-2-amino-1-phenylethyl]amino]-6-methoxyquinazoline-8-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-2-amino-1-phenylethyl]amino]-6-methoxyquinazoline-8-carboxamide is sourced from PubChem (CID 46869380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).