N-[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)propyl]cyclohexanecarboxamide;methane

C25H34N4O2 — CID 160578498

IUPACN-[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)propyl]cyclohexanecarboxamide;methane
SMILESC.C[C@H](CNC(=O)C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N
InChIInChI=1S/C24H30N4O2.CH4/c1-17(15-26-23(29)18-8-4-2-5-9-18)28-16-19-14-21(12-13-22(19)27-24(28)25)30-20-10-6-3-7-11-20;/h3,6-7,10-14,17-18H,2,4-5,8-9,15-16H2,1H3,(H2,25,27)(H,26,29);1H4/t17-;/m1./s1
InChIKeyRBLSDLMTIHAJKJ-UNTBIKODSA-N
MW422.57 g/mol
LogP4.96
Rot. Bonds6

About N-[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)propyl]cyclohexanecarboxamide;methane

N-[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)propyl]cyclohexanecarboxamide;methane (PubChem CID 160578498) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)propyl]cyclohexanecarboxamide;methane.

Molecular Properties

Compound NameN-[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)propyl]cyclohexanecarboxamide;methane
PubChem CID160578498
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)propyl]cyclohexanecarboxamide;methane
SMILESC.C[C@H](CNC(=O)C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N
InChIInChI=1S/C24H30N4O2.CH4/c1-17(15-26-23(29)18-8-4-2-5-9-18)28-16-19-14-21(12-13-22(19)27-24(28)25)30-20-10-6-3-7-11-20;/h3,6-7,10-14,17-18H,2,4-5,8-9,15-16H2,1H3,(H2,25,27)(H,26,29);1H4/t17-;/m1./s1
InChIKeyRBLSDLMTIHAJKJ-UNTBIKODSA-N
XLogP4.96
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)propyl]cyclohexanecarboxamide;methane?
The IUPAC name of N-[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)propyl]cyclohexanecarboxamide;methane (CID 160578498) is N-[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)propyl]cyclohexanecarboxamide;methane.
What is the SMILES notation for N-[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)propyl]cyclohexanecarboxamide;methane?
The canonical SMILES for N-[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)propyl]cyclohexanecarboxamide;methane is C.C[C@H](CNC(=O)C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N.
What is the InChIKey of N-[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)propyl]cyclohexanecarboxamide;methane?
The InChIKey is RBLSDLMTIHAJKJ-UNTBIKODSA-N. The full InChI is InChI=1S/C24H30N4O2.CH4/c1-17(15-26-23(29)18-8-4-2-5-9-18)28-16-19-14-21(12-13-22(19)27-24(28)25)30-20-10-6-3-7-11-20;/h3,6-7,10-14,17-18H,2,4-5,8-9,15-16H2,1H3,(H2,25,27)(H,26,29);1H4/t17-;/m1./s1.
What are the key properties of N-[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)propyl]cyclohexanecarboxamide;methane?
N-[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)propyl]cyclohexanecarboxamide;methane has a molecular weight of 422.57 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)propyl]cyclohexanecarboxamide;methane is sourced from PubChem (CID 160578498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).