(2R)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(quinazolin-4-ylamino)butanamide

C19H22N4O2 — CID 126450772

IUPAC(2R)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(quinazolin-4-ylamino)butanamide
SMILESCc1ccc(CNC(=O)[C@H](Nc2ncnc3ccccc23)C(C)C)o1
InChIInChI=1S/C19H22N4O2/c1-12(2)17(19(24)20-10-14-9-8-13(3)25-14)23-18-15-6-4-5-7-16(15)21-11-22-18/h4-9,11-12,17H,10H2,1-3H3,(H,20,24)(H,21,22,23)/t17-/m1/s1
InChIKeyANZPTZDDTYIWSF-QGZVFWFLSA-N
MW338.41 g/mol
LogP3.28
Rot. Bonds6

About (2R)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(quinazolin-4-ylamino)butanamide

(2R)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(quinazolin-4-ylamino)butanamide (PubChem CID 126450772) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2R)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(quinazolin-4-ylamino)butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(quinazolin-4-ylamino)butanamide
PubChem CID126450772
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(2R)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(quinazolin-4-ylamino)butanamide
SMILESCc1ccc(CNC(=O)[C@H](Nc2ncnc3ccccc23)C(C)C)o1
InChIInChI=1S/C19H22N4O2/c1-12(2)17(19(24)20-10-14-9-8-13(3)25-14)23-18-15-6-4-5-7-16(15)21-11-22-18/h4-9,11-12,17H,10H2,1-3H3,(H,20,24)(H,21,22,23)/t17-/m1/s1
InChIKeyANZPTZDDTYIWSF-QGZVFWFLSA-N
XLogP3.28
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide
CID 119060671
(2R,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoic acid
CID 725448
N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide
CID 110436209
N-(1,3-benzodioxol-5-ylmethyl)-2-(quinazolin-4-ylamino)propanamide
CID 110436193
(2R)-2-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
CID 55081694
N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide
CID 110436198
(2R)-4-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6922206
3-amino-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62524542
3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 110731621
N-(1-chloro-3-methylbutan-2-yl)quinazolin-4-amine
CID 79266861
1-(2,6-dimethylphenyl)-1-(quinazolin-4-ylamino)propan-2-ol
CID 142689562
N-ethyl-N-methyl-2-(quinazolin-4-ylamino)propanamide
CID 103111298

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(quinazolin-4-ylamino)butanamide?
The IUPAC name of (2R)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(quinazolin-4-ylamino)butanamide (CID 126450772) is (2R)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(quinazolin-4-ylamino)butanamide.
What is the SMILES notation for (2R)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(quinazolin-4-ylamino)butanamide?
The canonical SMILES for (2R)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(quinazolin-4-ylamino)butanamide is Cc1ccc(CNC(=O)[C@H](Nc2ncnc3ccccc23)C(C)C)o1.
What is the InChIKey of (2R)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(quinazolin-4-ylamino)butanamide?
The InChIKey is ANZPTZDDTYIWSF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12(2)17(19(24)20-10-14-9-8-13(3)25-14)23-18-15-6-4-5-7-16(15)21-11-22-18/h4-9,11-12,17H,10H2,1-3H3,(H,20,24)(H,21,22,23)/t17-/m1/s1.
What are the key properties of (2R)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(quinazolin-4-ylamino)butanamide?
(2R)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(quinazolin-4-ylamino)butanamide has a molecular weight of 338.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(quinazolin-4-ylamino)butanamide is sourced from PubChem (CID 126450772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).