4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N-cyclohexyl-N-methyl-4-(oxan-4-yl)butanamide

C30H40N4O3 — CID 68627100

IUPAC4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N-cyclohexyl-N-methyl-4-(oxan-4-yl)butanamide
SMILESCN(C(=O)CCC(C1CCOCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1
InChIInChI=1S/C30H40N4O3/c1-33(24-8-4-2-5-9-24)29(35)15-14-28(22-16-18-36-19-17-22)34-21-23-20-26(12-13-27(23)32-30(34)31)37-25-10-6-3-7-11-25/h3,6-7,10-13,20,22,24,28H,2,4-5,8-9,14-19,21H2,1H3,(H2,31,32)
InChIKeyNVIQGENNWIDFRH-UHFFFAOYSA-N
MW504.68 g/mol
LogP5.61
Rot. Bonds8

About 4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N-cyclohexyl-N-methyl-4-(oxan-4-yl)butanamide

4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N-cyclohexyl-N-methyl-4-(oxan-4-yl)butanamide (PubChem CID 68627100) has the molecular formula C30H40N4O3 and a molecular weight of 504.68 g/mol. Its IUPAC name is 4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N-cyclohexyl-N-methyl-4-(oxan-4-yl)butanamide.

Molecular Properties

Compound Name4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N-cyclohexyl-N-methyl-4-(oxan-4-yl)butanamide
PubChem CID68627100
Molecular FormulaC30H40N4O3
Molecular Weight504.68 g/mol
Exact Mass504.31
IUPAC Name4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N-cyclohexyl-N-methyl-4-(oxan-4-yl)butanamide
SMILESCN(C(=O)CCC(C1CCOCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1
InChIInChI=1S/C30H40N4O3/c1-33(24-8-4-2-5-9-24)29(35)15-14-28(22-16-18-36-19-17-22)34-21-23-20-26(12-13-27(23)32-30(34)31)37-25-10-6-3-7-11-25/h3,6-7,10-13,20,22,24,28H,2,4-5,8-9,14-19,21H2,1H3,(H2,31,32)
InChIKeyNVIQGENNWIDFRH-UHFFFAOYSA-N
XLogP5.61
TPSA80.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.68
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N-cyclohexyl-N-methyl-4-(oxan-4-yl)butanamide?
The IUPAC name of 4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N-cyclohexyl-N-methyl-4-(oxan-4-yl)butanamide (CID 68627100) is 4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N-cyclohexyl-N-methyl-4-(oxan-4-yl)butanamide.
What is the SMILES notation for 4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N-cyclohexyl-N-methyl-4-(oxan-4-yl)butanamide?
The canonical SMILES for 4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N-cyclohexyl-N-methyl-4-(oxan-4-yl)butanamide is CN(C(=O)CCC(C1CCOCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1.
What is the InChIKey of 4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N-cyclohexyl-N-methyl-4-(oxan-4-yl)butanamide?
The InChIKey is NVIQGENNWIDFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O3/c1-33(24-8-4-2-5-9-24)29(35)15-14-28(22-16-18-36-19-17-22)34-21-23-20-26(12-13-27(23)32-30(34)31)37-25-10-6-3-7-11-25/h3,6-7,10-13,20,22,24,28H,2,4-5,8-9,14-19,21H2,1H3,(H2,31,32).
What are the key properties of 4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N-cyclohexyl-N-methyl-4-(oxan-4-yl)butanamide?
4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N-cyclohexyl-N-methyl-4-(oxan-4-yl)butanamide has a molecular weight of 504.68 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N-cyclohexyl-N-methyl-4-(oxan-4-yl)butanamide is sourced from PubChem (CID 68627100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).